CID 63095

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

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

17
Patents

323.8834 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.89068 163.6
[M+Na]+ 346.87262 174.5
[M-H]- 322.87612 164.7
[M+NH4]+ 341.91722 178.3
[M+K]+ 362.84656 167.9
[M+H-H2O]+ 306.88066 159.8
[M+HCOO]- 368.88160 161.6
[M+CH3COO]- 382.89725 172.9
[M+Na-2H]- 344.85807 163.2
[M]+ 323.88285 164.6
[M]- 323.88395 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.