CID 37248

2,2',5,5'-tetrachlorobiphenyl

Structural Information

Molecular Formula
C12H6Cl4
SMILES
C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
InChIKey
HCWZEPKLWVAEOV-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-(2,5-dichlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

169
References

286
Patents

289.92236 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.92964 160.6
[M+Na]+ 312.91158 178.9
[M+NH4]+ 307.95618 170.8
[M+K]+ 328.88552 168.0
[M-H]- 288.91508 165.4
[M+Na-2H]- 310.89703 170.3
[M]+ 289.92181 166.1
[M]- 289.92291 166.1
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