CID 38019

2,3,3',4,4',5-hexachlorobiphenyl

Structural Information

Molecular Formula
C12H4Cl6
SMILES
C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H
InChIKey
LCXMEXLGMKFLQO-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

40
References

98
Patents

357.84442 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.85170 183.4
[M+Na]+ 380.83364 199.5
[M+NH4]+ 375.87824 191.4
[M+K]+ 396.80758 188.7
[M-H]- 356.83714 185.9
[M+Na-2H]- 378.81909 189.6
[M]+ 357.84387 188.1
[M]- 357.84497 188.1
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