CID 526349

3,4,8-tribromo-dibenzofuran

Structural Information

Molecular Formula

C₁₂H₅Br₃O

SMILES

C1=CC2=C(C=C1Br)C3=C(O2)C(=C(C=C3)Br)Br

InChI

InChI=1S/C12H5Br3O/c13-6-1-4-10-8(5-6)7-2-3-9(14)11(15)12(7)16-10/h1-5H

InChIKey

GBBHZWUDKSMEOG-UHFFFAOYSA-N

Compound name

2,6,7-tribromodibenzofuran

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 401.78906 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	402.79634	161.7
[M+Na]+	424.77828	155.3
[M+NH4]+	419.82288	163.2
[M+K]+	440.75222	163.5
[M-H]-	400.78178	164.1
[M+Na-2H]-	422.76373	162.6
[M]+	401.78851	161.4
[M]-	401.78961	161.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.