CID 39169

2,3,4,5,6-pentachlorodiphenyl ether

Structural Information

Molecular Formula

C₁₂H₅Cl₅O

SMILES

C1=CC=C(C=C1)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C12H5Cl5O/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h1-5H

InChIKey

JDWOFUWJURZFFF-UHFFFAOYSA-N

Compound name

1,2,3,4,5-pentachloro-6-phenoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 126
Patents: 339.8783 Da
Monoisotopic Mass: 6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	340.88558	173.2
[M+Na]+	362.86752	190.2
[M+NH4]+	357.91212	181.9
[M+K]+	378.84146	179.8
[M-H]-	338.87102	176.5
[M+Na-2H]-	360.85297	180.9
[M]+	339.87775	178.1
[M]-	339.87885	178.1

Literature stripe

literature stripe

Patent stripe

patents stripe