(e)-perfluorotridec-11-ene-1-sulfonic acid (C13HF25O3S)

Structural Information

Molecular Formula

SMILES

C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F

InChI

InChI=1S/C13HF25O3S/c14-1(2(15)4(18,19)20)3(16,17)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)42(39,40)41/h(H,39,40,41)/b2-1+

InChIKey

FSYPSOJVIOICOV-OWOJBTEDSA-N

Compound name

(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-ene-1-sulfonic 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]+	712.932016	202.6
[M+Na]+	734.913958	205.0
[M-H]-	710.917464	214.5
[M+NH4]+	729.958563	215.4
[M+K]+	750.887898	219.1
[M+H-H2O]+	694.922000	189.4
[M+HCOO]-	756.922941	216.8
[M+CH3COO]-	770.938591	258.3
[M+Na-2H]-	732.899406	202.7
[M]+	711.92419142	201.7
[M]-	711.92528858	201.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

712.932016

202.6

[M+Na]+

734.913958

205.0

[M-H]-

710.917464

214.5

[M+NH4]+

729.958563

215.4

[M+K]+

750.887898

219.1

[M+H-H2O]+

694.922000

189.4

[M+HCOO]-

756.922941

216.8

[M+CH3COO]-

770.938591

258.3

[M+Na-2H]-

732.899406

202.7

[M]+

711.92419142

201.7

[M]-

711.92528858

201.7

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

(e)-perfluorotridec-11-ene-1-sulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe