PubChemLite - 3,6,9,12,15,18,21,24,27-nonaoxatriacontanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-dotriacontafluoro-2,5,8,11,14,17,20,23,26-nonakis(trifluoromethyl)- (C30F60O10)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)F

InChI

InChI=1S/C30F60O10/c31-1(91)2(32,12(43,44)45)92-23(75,76)4(35,14(49,50)51)94-25(79,80)6(37,16(55,56)57)96-27(83,84)8(39,18(61,62)63)98-29(87,88)10(41,20(67,68)69)100-30(89,90)11(42,21(70,71)72)99-28(85,86)9(40,19(64,65)66)97-26(81,82)7(38,17(58,59)60)95-24(77,78)5(36,15(52,53)54)93-22(73,74)3(33,34)13(46,47)48

InChIKey

JAKFVMIZGKDDLJ-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1660.8607	350.4
[M+Na]+	1682.8426	350.3
[M-H]-	1658.8461	360.4
[M+NH4]+	1677.8872	355.5
[M+K]+	1698.8166	356.4
[M+H-H2O]+	1642.8507	345.5
[M+HCOO]-	1704.8516	353.5
[M+CH3COO]-	1718.8673	265.5
[M+Na-2H]-	1680.8281	350.3
[M]+	1659.8529	336.2
[M]-	1659.8539	336.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1660.8607

350.4

[M+Na]+

1682.8426

350.3

[M-H]-

1658.8461

360.4

[M+NH4]+

1677.8872

355.5

[M+K]+

1698.8166

356.4

[M+H-H2O]+

1642.8507

345.5

[M+HCOO]-

1704.8516

353.5

[M+CH3COO]-

1718.8673

265.5

[M+Na-2H]-

1680.8281

350.3

[M]+

1659.8529

336.2

[M]-

1659.8539

336.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3,6,9,12,15,18,21,24,27-nonaoxatriacontanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-dotriacontafluoro-2,5,8,11,14,17,20,23,26-nonakis(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe