CID 16327

Dichlorodiphenylmethane

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂

SMILES

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

InChI

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

InChIKey

OPTDDWCXQQYKGU-UHFFFAOYSA-N

Compound name

[dichloro(phenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2192
Patents: 236.01596 Da
Monoisotopic Mass: 4.5
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	148.7
[M+Na]+	259.005178	157.5
[M-H]-	235.008684	154.4
[M+NH4]+	254.049783	167.3
[M+K]+	274.979118	150.8
[M+H-H2O]+	219.013220	143.2
[M+HCOO]-	281.014161	162.0
[M+CH3COO]-	295.029811	188.1
[M+Na-2H]-	256.990626	156.4
[M]+	236.01541142	150.3
[M]-	236.01650858	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe