PubChemLite - 14620-81-6 (C12H3F23O4)

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)O

InChI

InChI=1S/C12H3F23O4/c13-2(1-36,6(18,19)20)37-11(32,33)4(16,8(24,25)26)39-12(34,35)5(17,9(27,28)29)38-10(30,31)3(14,15)7(21,22)23/h36H,1H2

InChIKey

IVWMVBZXKIOILW-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-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propan-1-ol

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]+	648.97371	180.3
[M+Na]+	670.95565	182.8
[M-H]-	646.95915	191.0
[M+NH4]+	666.00025	191.5
[M+K]+	686.92959	194.9
[M+H-H2O]+	630.96369	167.3
[M+HCOO]-	692.96463	198.7
[M+CH3COO]-	706.98028	252.7
[M+Na-2H]-	668.94110	180.5
[M]+	647.96588	178.8
[M]-	647.96698	178.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

648.97371

180.3

[M+Na]+

670.95565

182.8

[M-H]-

646.95915

191.0

[M+NH4]+

666.00025

191.5

[M+K]+

686.92959

194.9

[M+H-H2O]+

630.96369

167.3

[M+HCOO]-

692.96463

198.7

[M+CH3COO]-

706.98028

252.7

[M+Na-2H]-

668.94110

180.5

[M]+

647.96588

178.8

[M]-

647.96698

178.8

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

14620-81-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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