CID 24023

7457-25-2

Structural Information

Molecular Formula

C₁₃H₈Cl₄

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(Cl)Cl)Cl

InChI

InChI=1S/C13H8Cl4/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10/h1-8H

InChIKey

CYRZYVXEHUQRAE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 303.93802 Da
Monoisotopic Mass: 5.8
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]+	304.94530	168.4
[M+Na]+	326.92724	185.5
[M+NH4]+	321.97184	178.2
[M+K]+	342.90118	175.0
[M-H]-	302.93074	172.4
[M+Na-2H]-	324.91269	177.9
[M]+	303.93747	173.5
[M]-	303.93857	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe