CID 10176391

1,1,2,2-tetrafluoroethanesulfonic acid

Structural Information

Molecular Formula

C₂H₂F₄O₃S

SMILES

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

InChI

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

InChIKey

KZWJWYFPLXRYIL-UHFFFAOYSA-N

Compound name

1,1,2,2-tetrafluoroethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1257
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]+	182.973356	123.9
[M+Na]+	204.955298	132.9
[M-H]-	180.958804	118.3
[M+NH4]+	199.999903	143.1
[M+K]+	220.929238	131.4
[M+H-H2O]+	164.963340	116.8
[M+HCOO]-	226.964281	134.7
[M+CH3COO]-	240.979931	173.3
[M+Na-2H]-	202.940746	127.3
[M]+	181.96553142	120.0
[M]-	181.96662858	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe