CID 2764223

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

Structural Information

Molecular Formula
C13H10ClNO3
SMILES
C1=CC=C(C(=C1)CN2C=C(C=CC2=O)C(=O)O)Cl
InChI
InChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKey
UTHKVSFOOCIQAL-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

263.0349 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.042176 152.7
[M+Na]+ 286.024118 163.0
[M-H]- 262.027624 157.4
[M+NH4]+ 281.068723 168.3
[M+K]+ 301.998058 157.6
[M+H-H2O]+ 246.032160 145.9
[M+HCOO]- 308.033101 170.0
[M+CH3COO]- 322.048751 191.8
[M+Na-2H]- 284.009566 157.2
[M]+ 263.03435142 155.7
[M]- 263.03544858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe