CID 13078

782-08-1

Structural Information

Molecular Formula
C13H9Cl3
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H9Cl3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13H
InChIKey
LKBJQRZQDCMBBJ-UHFFFAOYSA-N
Compound name
1-chloro-4-[chloro-(4-chlorophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

264
Patents

269.977 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98428 156.5
[M+Na]+ 292.96622 174.3
[M+NH4]+ 288.01082 167.1
[M+K]+ 308.94016 163.8
[M-H]- 268.96972 161.8
[M+Na-2H]- 290.95167 167.0
[M]+ 269.97645 161.8
[M]- 269.97755 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe