CID 23448

2,4,4'-trichlorobiphenyl

Structural Information

Molecular Formula
C12H7Cl3
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
InChIKey
BZTYNSQSZHARAZ-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(4-chlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

102
References

247
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