CID 134713

2-oh-cl-7-dpe

Structural Information

Molecular Formula

C₁₂H₃Cl₇O₂

SMILES

C1=C(C(=CC(=C1Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)O

InChI

InChI=1S/C12H3Cl7O2/c13-3-1-5(20)6(2-4(3)14)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-2,20H

InChIKey

FWHNZRVEFJWUNF-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-(2,3,4,5,6-pentachlorophenoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 423.7953 Da
Monoisotopic Mass: 8.0
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]+	424.802576	183.5
[M+Na]+	446.784518	192.2
[M-H]-	422.788024	179.3
[M+NH4]+	441.829123	192.1
[M+K]+	462.758458	189.1
[M+H-H2O]+	406.792560	180.9
[M+HCOO]-	468.793501	170.6
[M+CH3COO]-	482.809151	188.1
[M+Na-2H]-	444.769966	177.2
[M]+	423.79475142	180.6
[M]-	423.79584858	180.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.