CID 53036

2,3,4,4',5-pentachlorobiphenyl

Structural Information

Molecular Formula
C12H5Cl5
SMILES
C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H
InChIKey
SXZSFWHOSHAKMN-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

3733
Patents

323.8834 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.89068 171.4
[M+Na]+ 346.87262 188.8
[M+NH4]+ 341.91722 180.6
[M+K]+ 362.84656 177.9
[M-H]- 322.87612 175.0
[M+Na-2H]- 344.85807 179.4
[M]+ 323.88285 176.5
[M]- 323.88395 176.5
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