CID 119030941

5-chloro-2-methanesulfonylpyridine-4-carboxylic acid

Structural Information

Molecular Formula
C7H6ClNO4S
SMILES
CS(=O)(=O)C1=NC=C(C(=C1)C(=O)O)Cl
InChI
InChI=1S/C7H6ClNO4S/c1-14(12,13)6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11)
InChIKey
YPCOSDUUCOMYQM-UHFFFAOYSA-N
Compound name
5-chloro-2-methylsulfonylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.97061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97789 146.2
[M+Na]+ 257.95983 158.1
[M+NH4]+ 253.00443 152.5
[M+K]+ 273.93377 152.4
[M-H]- 233.96333 144.9
[M+Na-2H]- 255.94528 150.4
[M]+ 234.97006 148.1
[M]- 234.97116 148.1
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.