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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.94530 162.0
[M+Na]+ 326.92724 171.8
[M-H]- 302.93074 165.0
[M+NH4]+ 321.97184 177.8
[M+K]+ 342.90118 164.4
[M+H-H2O]+ 286.93528 157.4
[M+HCOO]- 348.93622 164.0
[M+CH3COO]- 362.95187 172.3
[M+Na-2H]- 324.91269 165.4
[M]+ 303.93747 163.8
[M]- 303.93857 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe