PubChemLite - Perfluoroundecanesulfonic acid (C11HF23O3S)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11HF23O3S/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)38(35,36)37/h(H,35,36,37)

InChIKey

UKHUPOMCGUFNAP-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecane-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]+	650.93518	152.7
[M+Na]+	672.91712	152.7
[M+NH4]+	667.96172	152.7
[M+K]+	688.89106	152.7
[M-H]-	648.92062	152.7
[M+Na-2H]-	670.90257	152.7
[M]+	649.92735	152.7
[M]-	649.92845	152.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

650.93518

152.7

[M+Na]+

672.91712

152.7

[M+NH4]+

667.96172

152.7

[M+K]+

688.89106

152.7

[M-H]-

648.92062

152.7

[M+Na-2H]-

670.90257

152.7

[M]+

649.92735

152.7

[M]-

649.92845

152.7

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

Perfluoroundecanesulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe