61098-01-9 (C22F46O6)

Structural Information

Molecular Formula

SMILES

C(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)(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

InChI

InChI=1S/C22F46O6/c23-1(24,9(33,34)35)17(57,58)71-5(29,13(45,46)47)21(65,66)73-7(31,15(51,52)53)19(61,62)69-3(27,11(39,40)41)4(28,12(42,43)44)70-20(63,64)8(32,16(54,55)56)74-22(67,68)6(30,14(48,49)50)72-18(59,60)2(25,26)10(36,37)38

InChIKey

CGVSQESGRSXVJM-UHFFFAOYSA-N

Compound name

1,1,1,2,3,4,4,4-octafluoro-2,3-bis[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]butane

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]+	1234.903276	274.1
[M+Na]+	1256.885218	274.2
[M-H]-	1232.888724	286.9
[M+NH4]+	1251.929823	284.1
[M+K]+	1272.859158	286.8
[M+H-H2O]+	1216.893260	265.0
[M+HCOO]-	1278.894201	283.3
[M+CH3COO]-	1292.909851	274.7
[M+Na-2H]-	1254.870666	277.9
[M]+	1233.89545142	265.8
[M]-	1233.89654858	265.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1234.903276

274.1

[M+Na]+

1256.885218

274.2

[M-H]-

1232.888724

286.9

[M+NH4]+

1251.929823

284.1

[M+K]+

1272.859158

286.8

[M+H-H2O]+

1216.893260

265.0

[M+HCOO]-

1278.894201

283.3

[M+CH3COO]-

1292.909851

274.7

[M+Na-2H]-

1254.870666

277.9

[M]+

1233.89545142

265.8

[M]-

1233.89654858

265.8

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

61098-01-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe