CID 7576

4,4'-dichlorodiphenylmethane

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂

SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2

InChIKey

LQGSWLJZAKVBJH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 436
Patents: 236.01596 Da
Monoisotopic Mass: 4.9
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]+	237.02324	148.5
[M+Na]+	259.00518	166.8
[M+NH4]+	254.04978	159.7
[M+K]+	274.97912	156.0
[M-H]-	235.00868	154.6
[M+Na-2H]-	256.99063	160.0
[M]+	236.01541	153.9
[M]-	236.01651	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe