CID 137951848

2219379-63-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.98451 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.991786 135.2
[M+Na]+ 227.973728 145.0
[M-H]- 203.977234 135.7
[M+NH4]+ 223.018333 152.5
[M+K]+ 243.947668 142.3
[M+H-H2O]+ 187.981770 128.7
[M+HCOO]- 249.982711 150.5
[M+CH3COO]- 263.998361 176.8
[M+Na-2H]- 225.959176 139.7
[M]+ 204.98396142 136.5
[M]- 204.98505858 136.5
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

patents stripe