CID 47423

1,9-dichlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H6Cl2O2
SMILES
C1=CC2=C(C(=C1)Cl)OC3=C(O2)C=CC=C3Cl
InChI
InChI=1S/C12H6Cl2O2/c13-7-3-1-5-9-11(7)16-12-8(14)4-2-6-10(12)15-9/h1-6H
InChIKey
JZDVJXBKJDADAY-UHFFFAOYSA-N
Compound name
1,9-dichlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

251.97449 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.981766 147.7
[M+Na]+ 274.963708 159.7
[M-H]- 250.967214 154.2
[M+NH4]+ 270.008313 166.0
[M+K]+ 290.937648 156.2
[M+H-H2O]+ 234.971750 142.9
[M+HCOO]- 296.972691 158.3
[M+CH3COO]- 310.988341 161.4
[M+Na-2H]- 272.949156 157.5
[M]+ 251.97394142 153.4
[M]- 251.97503858 153.4
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.