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
8
Annotation Hits

713
References

537
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 172.5
[M+Na]+ 380.83364 182.4
[M-H]- 356.83714 171.1
[M+NH4]+ 375.87824 184.8
[M+K]+ 396.80758 176.9
[M+H-H2O]+ 340.84168 168.9
[M+HCOO]- 402.84262 165.0
[M+CH3COO]- 416.85827 179.6
[M+Na-2H]- 378.81909 169.3
[M]+ 357.84387 171.1
[M]- 357.84497 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.