CID 158068

1,2,9-trichlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H5Cl3O2
SMILES
C1=CC2=C(C(=C1)Cl)OC3=C(O2)C=CC(=C3Cl)Cl
InChI
InChI=1S/C12H5Cl3O2/c13-6-4-5-9-12(10(6)15)17-11-7(14)2-1-3-8(11)16-9/h1-5H
InChIKey
DQLRDBDQLSIOIX-UHFFFAOYSA-N
Compound name
1,2,9-trichlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

285.93552 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94280 155.1
[M+Na]+ 308.92474 174.0
[M+NH4]+ 303.96934 166.0
[M+K]+ 324.89868 164.5
[M-H]- 284.92824 161.7
[M+Na-2H]- 306.91019 162.1
[M]+ 285.93497 161.0
[M]- 285.93607 161.0
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.