CID 43711

Phenol, 4,5-dichloro-2-(2,4,5-trichlorophenoxy)-

Structural Information

Molecular Formula
C12H5Cl5O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)OC2=CC(=C(C=C2Cl)Cl)Cl)O
InChI
InChI=1S/C12H5Cl5O2/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4,18H
InChIKey
CMCNHNDDWPGEBH-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(2,4,5-trichlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.87323 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.88051 166.4
[M+Na]+ 378.86245 177.6
[M-H]- 354.86595 167.1
[M+NH4]+ 373.90705 179.7
[M+K]+ 394.83639 171.7
[M+H-H2O]+ 338.87049 163.4
[M+HCOO]- 400.87143 163.8
[M+CH3COO]- 414.88708 175.5
[M+Na-2H]- 376.84790 165.5
[M]+ 355.87268 168.9
[M]- 355.87378 168.9
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.