CID 10264093

6-(3-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C12H8ClNO3
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C12H8ClNO3/c13-8-3-1-2-7(6-8)10-5-4-9(12(16)17)11(15)14-10/h1-6H,(H,14,15)(H,16,17)
InChIKey
XAEDXOYCNKFXGA-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.01927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.026546 148.5
[M+Na]+ 272.008488 158.8
[M-H]- 248.011994 152.1
[M+NH4]+ 267.053093 164.0
[M+K]+ 287.982428 152.8
[M+H-H2O]+ 232.016530 142.3
[M+HCOO]- 294.017471 164.8
[M+CH3COO]- 308.033121 186.4
[M+Na-2H]- 269.993936 153.1
[M]+ 249.01872142 149.4
[M]- 249.01981858 149.4
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.