PubChemLite - Perfluoro(4,4'-diphenoxybiphenyl) (C24F18O2)

Structural Information

Molecular Formula

SMILES

C1(=C(C(=C(C(=C1F)F)OC2=C(C(=C(C(=C2F)F)F)F)F)F)F)C3=C(C(=C(C(=C3F)F)OC4=C(C(=C(C(=C4F)F)F)F)F)F)F

InChI

InChI=1S/C24F18O2/c25-3-1(4(26)14(36)21(13(3)35)43-23-17(39)9(31)7(29)10(32)18(23)40)2-5(27)15(37)22(16(38)6(2)28)44-24-19(41)11(33)8(30)12(34)20(24)42

InChIKey

DMZNIFIKQOFWLU-UHFFFAOYSA-N

Compound name

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]phenoxy]benzene

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]+	662.96834	249.9
[M+Na]+	684.95028	270.9
[M-H]-	660.95378	245.4
[M+NH4]+	679.99488	252.3
[M+K]+	700.92422	258.8
[M+H-H2O]+	644.95832	226.0
[M+HCOO]-	706.95926	252.5
[M+CH3COO]-	720.97491	275.1
[M+Na-2H]-	682.93573	231.6
[M]+	661.96051	236.7
[M]-	661.96161	236.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

662.96834

249.9

[M+Na]+

684.95028

270.9

[M-H]-

660.95378

245.4

[M+NH4]+

679.99488

252.3

[M+K]+

700.92422

258.8

[M+H-H2O]+

644.95832

226.0

[M+HCOO]-

706.95926

252.5

[M+CH3COO]-

720.97491

275.1

[M+Na-2H]-

682.93573

231.6

[M]+

661.96051

236.7

[M]-

661.96161

236.7

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

Perfluoro(4,4'-diphenoxybiphenyl)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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