CID 38526

1,4,6,9-tetrachlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H4Cl4O2
SMILES
C1=CC(=C2C(=C1Cl)OC3=C(C=CC(=C3O2)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O2/c13-5-1-2-6(14)10-9(5)17-11-7(15)3-4-8(16)12(11)18-10/h1-4H
InChIKey
QTIIAIRUSSSOHT-UHFFFAOYSA-N
Compound name
1,4,6,9-tetrachlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

319.89655 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

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