CID 1211466

2-(3-chlorophenoxy)nicotinamide

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₂

SMILES

C1=CC(=CC(=C1)Cl)OC2=C(C=CC=N2)C(=O)N

InChI

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

InChIKey

CZSWNYIDVFMMTR-UHFFFAOYSA-N

Compound name

2-(3-chlorophenoxy)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 248.03525 Da
Monoisotopic Mass: 2.2
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]+	249.04253	151.5
[M+Na]+	271.02447	166.4
[M+NH4]+	266.06907	159.7
[M+K]+	286.99841	159.3
[M-H]-	247.02797	155.6
[M+Na-2H]-	269.00992	160.8
[M]+	248.03470	155.0
[M]-	248.03580	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe