CID 10657539

142404-69-1

Structural Information

Molecular Formula

C₁₂H₉Cl₂N

SMILES

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

InChI

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

InChIKey

JJOZASAAOCISAR-UHFFFAOYSA-N

Compound name

2-[chloro-(4-chlorophenyl)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 237.0112 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]+	238.01848	146.4
[M+Na]+	260.00042	155.7
[M-H]-	236.00392	150.7
[M+NH4]+	255.04502	163.8
[M+K]+	275.97436	149.4
[M+H-H2O]+	220.00846	139.8
[M+HCOO]-	282.00940	159.3
[M+CH3COO]-	296.02505	158.8
[M+Na-2H]-	257.98587	152.5
[M]+	237.01065	148.3
[M]-	237.01175	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe