CID 12445422

N2-(4-chlorophenyl)pyridine-2,3-diamine

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃

SMILES

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

InChI

InChI=1S/C11H10ClN3/c12-8-3-5-9(6-4-8)15-11-10(13)2-1-7-14-11/h1-7H,13H2,(H,14,15)

InChIKey

BVPIXCUHSLXOOR-UHFFFAOYSA-N

Compound name

2-N-(4-chlorophenyl)pyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 219.05632 Da
Monoisotopic Mass: 2.7
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]+	220.06360	145.7
[M+Na]+	242.04554	154.7
[M-H]-	218.04904	150.8
[M+NH4]+	237.09014	162.9
[M+K]+	258.01948	148.9
[M+H-H2O]+	202.05358	138.4
[M+HCOO]-	264.05452	166.6
[M+CH3COO]-	278.07017	158.4
[M+Na-2H]-	240.03099	153.3
[M]+	219.05577	144.8
[M]-	219.05687	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe