CID 165111

4,5-dichloro-2-(2,4-dichlorophenoxy)phenol

Structural Information

Molecular Formula
C12H6Cl4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C=C2O)Cl)Cl
InChI
InChI=1S/C12H6Cl4O2/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5,17H
InChIKey
MCNUFYGRHZLQGD-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(2,4-dichlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4
Patents

321.9122 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.919476 159.5
[M+Na]+ 344.901418 171.3
[M-H]- 320.904924 162.4
[M+NH4]+ 339.946023 174.9
[M+K]+ 360.875358 164.7
[M+H-H2O]+ 304.909460 156.2
[M+HCOO]- 366.910401 162.7
[M+CH3COO]- 380.926051 170.5
[M+Na-2H]- 342.886866 161.1
[M]+ 321.91165142 163.6
[M]- 321.91274858 163.6
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