CID 18402783

Hpflsa_i n=3

Structural Information

Molecular Formula

C₃H₂F₆O₃S

SMILES

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

InChI

InChI=1S/C3H2F6O3S/c4-1(5)2(6,7)3(8,9)13(10,11)12/h1H,(H,10,11,12)

InChIKey

LTOQTEOVRRXGBX-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 303
Patents: 231.96289 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

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]+	232.97017	132.6
[M+Na]+	254.95211	141.6
[M-H]-	230.95561	124.4
[M+NH4]+	249.99671	149.6
[M+K]+	270.92605	139.5
[M+H-H2O]+	214.96015	124.0
[M+HCOO]-	276.96109	139.6
[M+CH3COO]-	290.97674	182.8
[M+Na-2H]-	252.93756	135.6
[M]+	231.96234	125.8
[M]-	231.96344	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe