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]+	732.897376	192.7
[M+Na]+	754.879318	193.9
[M-H]-	730.882824	204.5
[M+NH4]+	749.923923	205.1
[M+K]+	770.853258	208.6
[M+H-H2O]+	714.887360	178.4
[M+HCOO]-	776.888301	210.7
[M+CH3COO]-	790.903951	259.2
[M+Na-2H]-	752.864766	193.3
[M]+	731.88955142	196.1
[M]-	731.89064858	196.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

732.897376

192.7

[M+Na]+

754.879318

193.9

[M-H]-

730.882824

204.5

[M+NH4]+

749.923923

205.1

[M+K]+

770.853258

208.6

[M+H-H2O]+

714.887360

178.4

[M+HCOO]-

776.888301

210.7

[M+CH3COO]-

790.903951

259.2

[M+Na-2H]-

752.864766

193.3

[M]+

731.88955142

196.1

[M]-

731.89064858

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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