CID 180912

2,3,5,6-tetrachloro-4,4'-biphenyldiol

Structural Information

Molecular Formula
C12H6Cl4O2
SMILES
C1=CC(=CC=C1C2=C(C(=C(C(=C2Cl)Cl)O)Cl)Cl)O
InChI
InChI=1S/C12H6Cl4O2/c13-8-7(5-1-3-6(17)4-2-5)9(14)11(16)12(18)10(8)15/h1-4,17-18H
InChIKey
ZTJLKJPIKUPJIB-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachloro-4-(4-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

321.9122 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.919476 158.8
[M+Na]+ 344.901418 171.0
[M-H]- 320.904924 160.8
[M+NH4]+ 339.946023 173.8
[M+K]+ 360.875358 163.7
[M+H-H2O]+ 304.909460 156.2
[M+HCOO]- 366.910401 160.7
[M+CH3COO]- 380.926051 169.5
[M+Na-2H]- 342.886866 159.4
[M]+ 321.91165142 161.6
[M]- 321.91274858 161.6
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