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

936
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 123.9
[M+Na]+ 204.95530 132.9
[M-H]- 180.95880 118.3
[M+NH4]+ 199.99990 143.1
[M+K]+ 220.92924 131.4
[M+H-H2O]+ 164.96334 116.8
[M+HCOO]- 226.96428 134.7
[M+CH3COO]- 240.97993 173.3
[M+Na-2H]- 202.94075 127.3
[M]+ 181.96553 120.0
[M]- 181.96663 120.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe