CID 175927

8-bromo-2,3,4-trichlorodibenzofuran

Structural Information

Molecular Formula
C12H4BrCl3O
SMILES
C1=CC2=C(C=C1Br)C3=CC(=C(C(=C3O2)Cl)Cl)Cl
InChI
InChI=1S/C12H4BrCl3O/c13-5-1-2-9-6(3-5)7-4-8(14)10(15)11(16)12(7)17-9/h1-4H
InChIKey
HSGAYFKTYSUSKW-UHFFFAOYSA-N
Compound name
8-bromo-2,3,4-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

347.8511 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.85838 163.7
[M+Na]+ 370.84032 182.2
[M-H]- 346.84382 171.8
[M+NH4]+ 365.88492 185.6
[M+K]+ 386.81426 168.4
[M+H-H2O]+ 330.84836 166.5
[M+HCOO]- 392.84930 171.2
[M+CH3COO]- 406.86495 179.0
[M+Na-2H]- 368.82577 170.1
[M]+ 347.85055 188.9
[M]- 347.85165 188.9
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.