CID 80456

6-chloronicotinamide

Structural Information

Molecular Formula

C₆H₅ClN₂O

SMILES

C1=CC(=NC=C1C(=O)N)Cl

InChI

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

InChIKey

ZIJAZUBWHAZHPL-UHFFFAOYSA-N

Compound name

6-chloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 966
Patents: 156.00903 Da
Monoisotopic Mass: 2.0
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]+	157.01631	126.9
[M+Na]+	178.99825	140.1
[M+NH4]+	174.04285	135.4
[M+K]+	194.97219	134.2
[M-H]-	155.00175	128.7
[M+Na-2H]-	176.98370	134.2
[M]+	156.00848	129.4
[M]-	156.00958	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe