CID 63084

2,2',3,5,6-pentachlorobiphenyl

Structural Information

Molecular Formula
C12H5Cl5
SMILES
C1=CC=C(C(=C1)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H5Cl5/c13-7-4-2-1-3-6(7)10-11(16)8(14)5-9(15)12(10)17/h1-5H
InChIKey
BMXRLHMJGHJGLR-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3-(2-chlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

7
Patents

323.8834 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.890676 163.6
[M+Na]+ 346.872618 174.5
[M-H]- 322.876124 164.7
[M+NH4]+ 341.917223 178.3
[M+K]+ 362.846558 167.9
[M+H-H2O]+ 306.880660 159.8
[M+HCOO]- 368.881601 161.6
[M+CH3COO]- 382.897251 172.9
[M+Na-2H]- 344.858066 163.2
[M]+ 323.88285142 164.6
[M]- 323.88394858 164.6
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