CID 156913

2-(pentachlorophenoxy)phenol

Structural Information

Molecular Formula
C12H5Cl5O2
SMILES
C1=CC=C(C(=C1)O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H5Cl5O2/c13-7-8(14)10(16)12(11(17)9(7)15)19-6-4-2-1-3-5(6)18/h1-4,18H
InChIKey
QMVZPHXBSXJWRB-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentachlorophenoxy)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 175.3
[M+Na]+ 378.86245 191.8
[M+NH4]+ 373.90705 183.3
[M+K]+ 394.83639 182.2
[M-H]- 354.86595 177.9
[M+Na-2H]- 376.84790 182.1
[M]+ 355.87268 179.9
[M]- 355.87378 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.