CID 37034

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

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

707
References

435
Patents

357.84442 Da
Monoisotopic Mass

7.2
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