CID 53438102

1h-perfluoroethanesulfonic acid

Structural Information

Molecular Formula

C₂H₂F₄O₃S

SMILES

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

InChI

InChI=1S/C2H2F4O3S/c3-1(2(4,5)6)10(7,8)9/h1H,(H,7,8,9)

InChIKey

DFXIGNRYXLVEDF-UHFFFAOYSA-N

Compound name

1,2,2,2-tetrafluoroethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 150
Patents: 181.96608 Da
Monoisotopic Mass: 0.7
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]+	182.97336	124.0
[M+Na]+	204.95530	133.2
[M-H]-	180.95880	118.5
[M+NH4]+	199.99990	143.4
[M+K]+	220.92924	131.7
[M+H-H2O]+	164.96334	117.0
[M+HCOO]-	226.96428	134.9
[M+CH3COO]-	240.97993	172.6
[M+Na-2H]-	202.94075	127.4
[M]+	181.96553	120.1
[M]-	181.96663	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe