CID 36647

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

Structural Information

Molecular Formula
C12H4Cl6
SMILES
C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H
InChIKey
ICOAEPDGFWLUTI-UHFFFAOYSA-N
Compound name
1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

32
Patents

357.84442 Da
Monoisotopic Mass

7.3
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