CID 53438102

1h-tetrafluoroethanesulfonic 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

310
Patents

181.96608 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.