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

289
Patents

172.98798 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99526 127.0
[M+Na]+ 195.97720 137.7
[M-H]- 171.98070 127.5
[M+NH4]+ 191.02180 145.7
[M+K]+ 211.95114 133.5
[M+H-H2O]+ 155.98524 122.6
[M+HCOO]- 217.98618 143.8
[M+CH3COO]- 232.00183 171.2
[M+Na-2H]- 193.96265 132.9
[M]+ 172.98743 127.6
[M]- 172.98853 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