CID 23513743

873056-64-5

Structural Information

Molecular Formula

C₁₂H₉Cl₂N

SMILES

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

InChI

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

InChIKey

MDZFZLHCINJNRC-UHFFFAOYSA-N

Compound name

2-(2,5-dichlorophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 237.0112 Da
Monoisotopic Mass: 4.3
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