CID 644180

4-hydroxy-pcb 106

Structural Information

Molecular Formula
C12H5Cl5O
SMILES
C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C12H5Cl5O/c13-7-3-5(1-2-9(7)18)6-4-8(14)11(16)12(17)10(6)15/h1-4,18H
InChIKey
CGAILIYIKMFHPA-UHFFFAOYSA-N
Compound name
2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

271
Patents

339.8783 Da
Monoisotopic Mass

6.6
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