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

146
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.