CID 93471

1,3,8-trichlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H5Cl3O2
SMILES
C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3Cl)Cl
InChI
InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(4-6)17-12-8(15)3-7(14)5-11(12)16-9/h1-5H
InChIKey
FJAKCOBYQSEWMT-UHFFFAOYSA-N
Compound name
1,3,8-trichlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

285.93552 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94280 154.5
[M+Na]+ 308.92474 167.1
[M-H]- 284.92824 159.8
[M+NH4]+ 303.96934 171.6
[M+K]+ 324.89868 163.1
[M+H-H2O]+ 268.93278 150.3
[M+HCOO]- 330.93372 159.6
[M+CH3COO]- 344.94937 167.1
[M+Na-2H]- 306.91019 162.2
[M]+ 285.93497 160.7
[M]- 285.93607 160.7
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.