CID 51378

1,2,4,6-tetrachlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H4Cl4O2
SMILES
C1=CC2=C(C(=C1)Cl)OC3=C(O2)C(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O2/c13-5-2-1-3-8-10(5)18-11-7(15)4-6(14)9(16)12(11)17-8/h1-4H
InChIKey
KQNBZUDHTCXCNA-UHFFFAOYSA-N
Compound name
1,2,4,6-tetrachlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

319.89655 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.903826 161.5
[M+Na]+ 342.885768 174.1
[M-H]- 318.889274 165.1
[M+NH4]+ 337.930373 177.0
[M+K]+ 358.859708 170.2
[M+H-H2O]+ 302.893810 157.9
[M+HCOO]- 364.894751 160.9
[M+CH3COO]- 378.910401 172.7
[M+Na-2H]- 340.871216 166.8
[M]+ 319.89600142 167.1
[M]- 319.89709858 167.1
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.