CID 71755563

4-(fluorosulfonyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C5H3FO4S2
SMILES
C1=C(SC=C1S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C5H3FO4S2/c6-12(9,10)3-1-4(5(7)8)11-2-3/h1-2H,(H,7,8)
InChIKey
VKBWICAAHPQULB-UHFFFAOYSA-N
Compound name
4-fluorosulfonylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.94568 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95296 138.4
[M+Na]+ 232.93490 148.3
[M-H]- 208.93840 140.0
[M+NH4]+ 227.97950 158.7
[M+K]+ 248.90884 144.9
[M+H-H2O]+ 192.94294 133.3
[M+HCOO]- 254.94388 150.1
[M+CH3COO]- 268.95953 176.2
[M+Na-2H]- 230.92035 139.1
[M]+ 209.94513 140.6
[M]- 209.94623 140.6
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.