CID 2774902

2-(4-chlorophenoxy)nicotinamide

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₂

SMILES

C1=CC(=C(N=C1)OC2=CC=C(C=C2)Cl)C(=O)N

InChI

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

InChIKey

CBSIEDJQUZNDOY-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 4
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]+	249.042526	151.1
[M+Na]+	271.024468	160.3
[M-H]-	247.027974	156.4
[M+NH4]+	266.069073	167.2
[M+K]+	286.998408	155.5
[M+H-H2O]+	231.032510	143.8
[M+HCOO]-	293.033451	170.3
[M+CH3COO]-	307.049101	193.0
[M+Na-2H]-	269.009916	156.6
[M]+	248.03470142	152.8
[M]-	248.03579858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe