CID 6453821

2,2',4',5,5'-pentachlorobiphenyl-4-ol

Structural Information

Molecular Formula
C12H5Cl5O
SMILES
C1=C(C(=CC(=C1Cl)O)Cl)C2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C12H5Cl5O/c13-7-3-10(16)9(15)1-5(7)6-2-11(17)12(18)4-8(6)14/h1-4,18H
InChIKey
AVHHNFHLLZCWFH-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-(2,4,5-trichlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

339.8783 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.88558 173.5
[M+Na]+ 362.86752 190.4
[M+NH4]+ 357.91212 182.0
[M+K]+ 378.84146 180.3
[M-H]- 338.87102 176.5
[M+Na-2H]- 360.85297 180.6
[M]+ 339.87775 178.3
[M]- 339.87885 178.3
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