CID 37250

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

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

1
References

15
Patents

357.84442 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.851696 172.5
[M+Na]+ 380.833638 182.4
[M-H]- 356.837144 171.1
[M+NH4]+ 375.878243 184.8
[M+K]+ 396.807578 176.9
[M+H-H2O]+ 340.841680 168.9
[M+HCOO]- 402.842621 165.0
[M+CH3COO]- 416.858271 179.6
[M+Na-2H]- 378.819086 169.3
[M]+ 357.84387142 171.1
[M]- 357.84496858 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

literature stripe

Patent stripe

patents stripe