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]+ 194.97580 131.6
[M+Na]+ 216.95774 141.7
[M-H]- 192.96124 134.4
[M+NH4]+ 212.00234 151.3
[M+K]+ 232.93168 141.3
[M+H-H2O]+ 176.96578 126.8
[M+HCOO]- 238.96672 148.7
[M+CH3COO]- 252.98237 173.4
[M+Na-2H]- 214.94319 135.6
[M]+ 193.96797 134.9
[M]- 193.96907 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.