CID 38524

1,2,6,7-tetrachlorodibenzo-p-dioxin

Structural Information

Molecular Formula

C₁₂H₄Cl₄O₂

SMILES

C1=CC(=C(C2=C1OC3=C(O2)C=CC(=C3Cl)Cl)Cl)Cl

InChI

InChI=1S/C12H4Cl4O2/c13-5-1-3-7-11(9(5)15)18-8-4-2-6(14)10(16)12(8)17-7/h1-4H

InChIKey

SAMLAWFHXZIRMP-UHFFFAOYSA-N

Compound name

1,2,6,7-tetrachlorodibenzo-p-dioxin

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 0
Patents: 319.89655 Da
Monoisotopic Mass: 6.1
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]+	320.90383	164.2
[M+Na]+	342.88577	182.7
[M+NH4]+	337.93037	174.4
[M+K]+	358.85971	173.0
[M-H]-	318.88927	169.9
[M+Na-2H]-	340.87122	170.2
[M]+	319.89600	170.0
[M]-	319.89710	170.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.