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

3
Annotation Hits: 1
References: 244
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]+	237.023236	147.3
[M+Na]+	259.005178	156.3
[M-H]-	235.008684	153.1
[M+NH4]+	254.049783	166.1
[M+K]+	274.979118	149.8
[M+H-H2O]+	219.013220	141.9
[M+HCOO]-	281.014161	161.3
[M+CH3COO]-	295.029811	160.1
[M+Na-2H]-	256.990626	152.8
[M]+	236.01541142	149.3
[M]-	236.01650858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe