CID 29919580

2-chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H4ClNO3
SMILES
C1=CC(=O)NC(=C1C(=O)O)Cl
InChI
InChI=1S/C6H4ClNO3/c7-5-3(6(10)11)1-2-4(9)8-5/h1-2H,(H,8,9)(H,10,11)
InChIKey
BSCFFOOWFVZSSK-UHFFFAOYSA-N
Compound name
2-chloro-6-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

172.98798 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.995256 127.0
[M+Na]+ 195.977198 137.7
[M-H]- 171.980704 127.5
[M+NH4]+ 191.021803 145.7
[M+K]+ 211.951138 133.5
[M+H-H2O]+ 155.985240 122.6
[M+HCOO]- 217.986181 143.8
[M+CH3COO]- 232.001831 171.2
[M+Na-2H]- 193.962646 132.9
[M]+ 172.98743142 127.6
[M]- 172.98852858 127.6
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