PubChemLite - 52481-85-3 (C18HF35O7)

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)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)O

InChI

InChI=1S/C18HF35O7/c19-2(1(54)55,8(26,27)28)56-15(46,47)4(22,10(32,33)34)58-17(50,51)6(24,12(38,39)40)60-18(52,53)7(25,13(41,42)43)59-16(48,49)5(23,11(35,36)37)57-14(44,45)3(20,21)9(29,30)31/h(H,54,55)

InChIKey

ANKSFLDOVZNXOJ-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-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoic acid

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]+	994.92358	236.4
[M+Na]+	1016.9055	236.7
[M-H]-	992.90902	251.6
[M+NH4]+	1011.9501	249.9
[M+K]+	1032.8795	252.2
[M+H-H2O]+	976.91356	223.7
[M+HCOO]-	1038.9145	248.4
[M+CH3COO]-	1052.9302	275.5
[M+Na-2H]-	1014.8910	238.7
[M]+	993.91575	233.9
[M]-	993.91685	233.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

994.92358

236.4

[M+Na]+

1016.9055

236.7

[M-H]-

992.90902

251.6

[M+NH4]+

1011.9501

249.9

[M+K]+

1032.8795

252.2

[M+H-H2O]+

976.91356

223.7

[M+HCOO]-

1038.9145

248.4

[M+CH3COO]-

1052.9302

275.5

[M+Na-2H]-

1014.8910

238.7

[M]+

993.91575

233.9

[M]-

993.91685

233.9

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

52481-85-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe