CID 103694371

854235-25-9

Structural Information

Molecular Formula

C₁₂H₉Cl₂N

SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)N)Cl)Cl

InChI

InChI=1S/C12H9Cl2N/c13-10-4-1-8(2-5-10)9-3-6-12(15)11(14)7-9/h1-7H,15H2

InChIKey

MBXLHNOCLJVZGU-UHFFFAOYSA-N

Compound name

2-chloro-4-(4-chlorophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 237.0112 Da
Monoisotopic Mass: 4.2
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]+	238.01848	148.5
[M+Na]+	260.00042	159.2
[M-H]-	236.00392	154.5
[M+NH4]+	255.04502	167.4
[M+K]+	275.97436	152.1
[M+H-H2O]+	220.00846	143.4
[M+HCOO]-	282.00940	164.2
[M+CH3COO]-	296.02505	161.6
[M+Na-2H]-	257.98587	153.4
[M]+	237.01065	149.8
[M]-	237.01175	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe