CID 51375

1,3,6,9-tetrachlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H4Cl4O2
SMILES
C1=CC(=C2C(=C1Cl)OC3=C(O2)C(=CC(=C3)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O2/c13-5-3-8(16)10-9(4-5)17-11-6(14)1-2-7(15)12(11)18-10/h1-4H
InChIKey
QAUIRDIJIUMMEP-UHFFFAOYSA-N
Compound name
1,3,6,9-tetrachlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

319.89655 Da
Monoisotopic Mass

6.3
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

No patent data available for this compound.