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]+ 250.02655 148.5
[M+Na]+ 272.00849 158.8
[M-H]- 248.01199 152.1
[M+NH4]+ 267.05309 164.0
[M+K]+ 287.98243 152.8
[M+H-H2O]+ 232.01653 142.3
[M+HCOO]- 294.01747 164.8
[M+CH3COO]- 308.03312 186.4
[M+Na-2H]- 269.99394 153.1
[M]+ 249.01872 149.4
[M]- 249.01982 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.