PubChemLite - 2-(10-chloro-perfluorodecoxy)-perfluoroethanesulfonic acid (C12HClF24O4S)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12HClF24O4S/c13-9(30,31)7(26,27)5(22,23)3(18,19)1(14,15)2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)41-11(34,35)12(36,37)42(38,39)40/h(H,38,39,40)

InChIKey

LSKXVJXKXSXRPS-UHFFFAOYSA-N

Compound name

2-(10-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecoxy)-1,1,2,2-tetrafluoroethanesulfonic 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]+	732.89738	192.7
[M+Na]+	754.87932	193.9
[M-H]-	730.88282	204.5
[M+NH4]+	749.92392	205.1
[M+K]+	770.85326	208.6
[M+H-H2O]+	714.88736	178.4
[M+HCOO]-	776.88830	210.7
[M+CH3COO]-	790.90395	259.2
[M+Na-2H]-	752.86477	193.3
[M]+	731.88955	196.1
[M]-	731.89065	196.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

732.89738

192.7

[M+Na]+

754.87932

193.9

[M-H]-

730.88282

204.5

[M+NH4]+

749.92392

205.1

[M+K]+

770.85326

208.6

[M+H-H2O]+

714.88736

178.4

[M+HCOO]-

776.88830

210.7

[M+CH3COO]-

790.90395

259.2

[M+Na-2H]-

752.86477

193.3

[M]+

731.88955

196.1

[M]-

731.89065

196.1

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

2-(10-chloro-perfluorodecoxy)-perfluoroethanesulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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