CID 38017

2,2',3,3',4,6'-hexachlorobiphenyl

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

9
References

118
Patents

357.84442 Da
Monoisotopic Mass

7.0
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