CID 27588

2,2',6,6'-tetrachlorobiphenyl

Structural Information

Molecular Formula
C12H6Cl4
SMILES
C1=CC(=C(C(=C1)Cl)C2=C(C=CC=C2Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKey
PXAGFNRKXSYIHU-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-(2,6-dichlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

31
Patents

289.92236 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.92964 160.6
[M+Na]+ 312.91158 178.9
[M+NH4]+ 307.95618 170.8
[M+K]+ 328.88552 168.0
[M-H]- 288.91508 165.4
[M+Na-2H]- 310.89703 170.3
[M]+ 289.92181 166.1
[M]- 289.92291 166.1
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