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
1
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]+ 322.91948 159.5
[M+Na]+ 344.90142 171.3
[M-H]- 320.90492 162.4
[M+NH4]+ 339.94602 174.9
[M+K]+ 360.87536 164.7
[M+H-H2O]+ 304.90946 156.2
[M+HCOO]- 366.91040 162.7
[M+CH3COO]- 380.92605 170.5
[M+Na-2H]- 342.88687 161.1
[M]+ 321.91165 163.6
[M]- 321.91275 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.