CID 165690978

2731008-55-0

Structural Information

Molecular Formula
C5H3FO5S2
SMILES
C1=C(SC=C1OS(=O)(=O)F)C(=O)O
InChI
InChI=1S/C5H3FO5S2/c6-13(9,10)11-3-1-4(5(7)8)12-2-3/h1-2H,(H,7,8)
InChIKey
WLLRIUKQHYFZNB-UHFFFAOYSA-N
Compound name
4-fluorosulfonyloxythiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.9406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.94788 141.6
[M+Na]+ 248.92982 151.2
[M-H]- 224.93332 143.1
[M+NH4]+ 243.97442 161.1
[M+K]+ 264.90376 148.2
[M+H-H2O]+ 208.93786 136.3
[M+HCOO]- 270.93880 153.6
[M+CH3COO]- 284.95445 178.3
[M+Na-2H]- 246.91527 142.6
[M]+ 225.94005 145.2
[M]- 225.94115 145.2
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.