CID 40811

1,2,3,8-tetrachlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H4Cl4O2
SMILES
C1=CC2=C(C=C1Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O2/c13-5-1-2-7-8(3-5)18-12-9(17-7)4-6(14)10(15)11(12)16/h1-4H
InChIKey
BXKLTNKYLCZOHF-UHFFFAOYSA-N
Compound name
1,2,3,8-tetrachlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

319.89655 Da
Monoisotopic Mass

6.0
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

patents stripe