CID 15157142

84604-89-7

Structural Information

Molecular Formula

C₁₃H₈Cl₄

SMILES

C1=CC(=C(C=C1Cl)Cl)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H8Cl4/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17/h1-4,6-7H,5H2

InChIKey

WVWJQTPTXDYDCM-UHFFFAOYSA-N

Compound name

2,4-dichloro-1-[(2,4-dichlorophenyl)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 303.93802 Da
Monoisotopic Mass: 6.4
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	160.2
[M+Na]+	326.92724	171.3
[M-H]-	302.93074	163.4
[M+NH4]+	321.97184	176.5
[M+K]+	342.90118	163.7
[M+H-H2O]+	286.93528	155.9
[M+HCOO]-	348.93622	163.7
[M+CH3COO]-	362.95187	171.0
[M+Na-2H]-	324.91269	161.9
[M]+	303.93747	163.1
[M]-	303.93857	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe