CID 526342

2-bromo-1,3,7,8-tetrachlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H3BrCl4O2
SMILES
C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Br)Cl
InChI
InChI=1S/C12H3BrCl4O2/c13-10-6(16)3-9-12(11(10)17)19-8-2-5(15)4(14)1-7(8)18-9/h1-3H
InChIKey
RMJLHLVWECBHAN-UHFFFAOYSA-N
Compound name
2-bromo-1,3,7,8-tetrachlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.80704 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.81432 168.1
[M+Na]+ 420.79626 184.4
[M-H]- 396.79976 174.5
[M+NH4]+ 415.84086 184.7
[M+K]+ 436.77020 173.1
[M+H-H2O]+ 380.80430 170.5
[M+HCOO]- 442.80524 166.4
[M+CH3COO]- 456.82089 180.9
[M+Na-2H]- 418.78171 174.0
[M]+ 397.80649 190.8
[M]- 397.80759 190.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.