CID 165757547

5-(fluorosulfonyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H4FNO4S
SMILES
C1=CC(=NC=C1S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C6H4FNO4S/c7-13(11,12)4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKey
BSOSWQGITIZMMZ-UHFFFAOYSA-N
Compound name
5-fluorosulfonylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.98451 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.99179 139.4
[M+Na]+ 227.97373 149.2
[M+NH4]+ 223.01833 144.8
[M+K]+ 243.94767 144.5
[M-H]- 203.97723 136.4
[M+Na-2H]- 225.95918 143.1
[M]+ 204.98396 140.0
[M]- 204.98506 140.0
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.