CID 241584

134-83-8

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂

SMILES

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

InChI

InChI=1S/C13H10Cl2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H

InChIKey

ALKWTKGPKKAZMN-UHFFFAOYSA-N

Compound name

1-chloro-4-[chloro(phenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 167
Patents: 236.01596 Da
Monoisotopic Mass: 5.1
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]+	237.02324	149.1
[M+Na]+	259.00518	166.6
[M+NH4]+	254.04978	160.1
[M+K]+	274.97912	156.4
[M-H]-	235.00868	154.9
[M+Na-2H]-	256.99063	160.4
[M]+	236.01541	154.2
[M]-	236.01651	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe