CID 836002

61350-00-3

Structural Information

Molecular Formula

C₁₂H₉ClN₂O

SMILES

C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)

InChIKey

SUYUTNCKIOLMAJ-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 58
Patents: 232.04034 Da
Monoisotopic Mass: 2.6
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]+	233.04762	148.7
[M+Na]+	255.02956	164.1
[M+NH4]+	250.07416	157.7
[M+K]+	271.00350	155.9
[M-H]-	231.03306	153.4
[M+Na-2H]-	253.01501	159.2
[M]+	232.03979	152.6
[M]-	232.04089	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe