CID 3011451

4-chloro-n-(6-hydroxy-2-pyridyl)benzamide

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₂

SMILES

C1=CC(=O)NC(=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClN2O2/c13-9-6-4-8(5-7-9)12(17)15-10-2-1-3-11(16)14-10/h1-7H,(H2,14,15,16,17)

InChIKey

TXQXEBUZVQAMPY-UHFFFAOYSA-N

Compound name

4-chloro-N-(6-oxo-1H-pyridin-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 248.03525 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.042526	150.6
[M+Na]+	271.024468	159.7
[M-H]-	247.027974	155.0
[M+NH4]+	266.069073	166.3
[M+K]+	286.998408	153.7
[M+H-H2O]+	231.032510	143.6
[M+HCOO]-	293.033451	169.1
[M+CH3COO]-	307.049101	189.8
[M+Na-2H]-	269.009916	156.6
[M]+	248.03470142	150.7
[M]-	248.03579858	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.