PubChemLite - Perfluorohexanesulfonic acid (C6HF13O3S)

Structural Information

Molecular Formula

C₆HF₁₃O₃S

SMILES

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

InChI

InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)

InChIKey

QZHDEAJFRJCDMF-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-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]+	400.95116	181.3
[M+Na]+	422.93310	181.0
[M+NH4]+	417.97770	180.2
[M+K]+	438.90704	179.8
[M-H]-	398.93660	176.5
[M+Na-2H]-	420.91855	179.2
[M]+	399.94333	179.8
[M]-	399.94443	179.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.95116

181.3

[M+Na]+

422.93310

181.0

[M+NH4]+

417.97770

180.2

[M+K]+

438.90704

179.8

[M-H]-

398.93660

176.5

[M+Na-2H]-

420.91855

179.2

[M]+

399.94333

179.8

[M]-

399.94443

179.8

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

Perfluorohexanesulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe