CID 13078

1,1'-(chloromethylene)bis(4-chlorobenzene)

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 153.0
[M+Na]+ 292.96622 162.8
[M-H]- 268.96972 157.7
[M+NH4]+ 288.01082 170.7
[M+K]+ 308.94016 155.6
[M+H-H2O]+ 252.97426 148.2
[M+HCOO]- 314.97520 161.5
[M+CH3COO]- 328.99085 164.9
[M+Na-2H]- 290.95167 156.6
[M]+ 269.97645 155.6
[M]- 269.97755 155.6
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