CID 38034

2,3,3'-trichlorobiphenyl

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

2
References

32
Patents

255.96133 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.96861 151.5
[M+Na]+ 278.95055 170.2
[M+NH4]+ 273.99515 162.4
[M+K]+ 294.92449 159.4
[M-H]- 254.95405 157.1
[M+Na-2H]- 276.93600 162.4
[M]+ 255.96078 157.0
[M]- 255.96188 157.0
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