CID 158147

Dibenzo(b,e)(1,4)dioxin-1-ol, 2,3,7,8-tetrachloro-

Structural Information

Molecular Formula
C12H4Cl4O3
SMILES
C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)O
InChI
InChI=1S/C12H4Cl4O3/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3,17H
InChIKey
ZMARARHICOBNFD-UHFFFAOYSA-N
Compound name
2,3,7,8-tetrachlorodibenzo-p-dioxin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.89145 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.89873 162.9
[M+Na]+ 358.88067 175.9
[M-H]- 334.88417 165.9
[M+NH4]+ 353.92527 177.5
[M+K]+ 374.85461 172.1
[M+H-H2O]+ 318.88871 160.1
[M+HCOO]- 380.88965 161.4
[M+CH3COO]- 394.90530 173.9
[M+Na-2H]- 356.86612 167.6
[M]+ 335.89090 168.9
[M]- 335.89200 168.9
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.