CID 165870651

5-(fluorosulfonyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C5H3FO5S
SMILES
C1=C(OC(=C1)S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C5H3FO5S/c6-12(9,10)4-2-1-3(11-4)5(7)8/h1-2H,(H,7,8)
InChIKey
VAQLYPOJHVLGNE-UHFFFAOYSA-N
Compound name
5-fluorosulfonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.96852 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.975796 131.6
[M+Na]+ 216.957738 141.7
[M-H]- 192.961244 134.4
[M+NH4]+ 212.002343 151.3
[M+K]+ 232.931678 141.3
[M+H-H2O]+ 176.965780 126.8
[M+HCOO]- 238.966721 148.7
[M+CH3COO]- 252.982371 173.4
[M+Na-2H]- 214.943186 135.6
[M]+ 193.96797142 134.9
[M]- 193.96906858 134.9
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.