CID 38037

3,3',5-trichlorobiphenyl

Structural Information

Molecular Formula
C12H7Cl3
SMILES
C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H7Cl3/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-7H
InChIKey
RIBGNAJQTOXRDK-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-(3-chlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

30
References

76
Patents

255.96133 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.96861 148.9
[M+Na]+ 278.95055 160.3
[M-H]- 254.95405 154.0
[M+NH4]+ 273.99515 167.5
[M+K]+ 294.92449 153.0
[M+H-H2O]+ 238.95859 144.4
[M+HCOO]- 300.95953 158.6
[M+CH3COO]- 314.97518 161.6
[M+Na-2H]- 276.93600 153.4
[M]+ 255.96078 152.0
[M]- 255.96188 152.0
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