CID 1432578

16344-26-6

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₂

SMILES

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

InChI

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

InChIKey

YEXIXVLEDGNAKM-UHFFFAOYSA-N

Compound name

2-(4-chloroanilino)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 25
Patents: 248.03525 Da
Monoisotopic Mass: 3.4
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	150.7
[M+Na]+	271.024468	159.5
[M-H]-	247.027974	155.1
[M+NH4]+	266.069073	166.4
[M+K]+	286.998408	154.1
[M+H-H2O]+	231.032510	143.7
[M+HCOO]-	293.033451	169.1
[M+CH3COO]-	307.049101	191.2
[M+Na-2H]-	269.009916	156.9
[M]+	248.03470142	151.6
[M]-	248.03579858	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe