CID 82588

2-chloronicotinamide

Structural Information

Molecular Formula

C₆H₅ClN₂O

SMILES

C1=CC(=C(N=C1)Cl)C(=O)N

InChI

InChI=1S/C6H5ClN2O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)

InChIKey

ZQZAHPFFZWEUCL-UHFFFAOYSA-N

Compound name

2-chloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1981
Patents: 156.00903 Da
Monoisotopic Mass: 1.6
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]+	157.016306	127.0
[M+Na]+	178.998248	136.6
[M-H]-	155.001754	129.3
[M+NH4]+	174.042853	147.1
[M+K]+	194.972188	133.3
[M+H-H2O]+	139.006290	121.7
[M+HCOO]-	201.007231	146.6
[M+CH3COO]-	215.022881	175.9
[M+Na-2H]-	176.983696	133.8
[M]+	156.00848142	127.0
[M]-	156.00957858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe