CID 2735393

175201-62-4

Structural Information

Molecular Formula

C₉H₇Cl₂N₃

SMILES

C1=CC(=CC=C1N)N2C=NC(=C2Cl)Cl

InChI

InChI=1S/C9H7Cl2N3/c10-8-9(11)14(5-13-8)7-3-1-6(12)2-4-7/h1-5H,12H2

InChIKey

BPNGSEJDRLWEPM-UHFFFAOYSA-N

Compound name

4-(4,5-dichloroimidazol-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 227.00171 Da
Monoisotopic Mass: 2.9
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]+	228.00899	145.9
[M+Na]+	249.99093	157.5
[M-H]-	225.99443	149.4
[M+NH4]+	245.03553	164.2
[M+K]+	265.96487	151.2
[M+H-H2O]+	209.99897	138.9
[M+HCOO]-	271.99991	160.4
[M+CH3COO]-	286.01556	158.8
[M+Na-2H]-	247.97638	149.7
[M]+	227.00116	147.3
[M]-	227.00226	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe