CID 173961

2,3-dichloro-6-(2,4-dichlorophenoxy)phenol

Structural Information

Molecular Formula
C12H6Cl4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=C(C(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C12H6Cl4O2/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5,17H
InChIKey
BKWHBKVTXLCASI-UHFFFAOYSA-N
Compound name
2,3-dichloro-6-(2,4-dichlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
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

No patent data available for this compound.