CID 458256

4-bromodibenzo[b,d]furan

Structural Information

Molecular Formula
C12H7BrO
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)Br
InChI
InChI=1S/C12H7BrO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChIKey
DYTYBRPMNQQFFL-UHFFFAOYSA-N
Compound name
4-bromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1631
Patents

245.96803 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97531 146.3
[M+Na]+ 268.95725 160.9
[M-H]- 244.96075 155.9
[M+NH4]+ 264.00185 170.3
[M+K]+ 284.93119 150.7
[M+H-H2O]+ 228.96529 147.5
[M+HCOO]- 290.96623 168.6
[M+CH3COO]- 304.98188 163.1
[M+Na-2H]- 266.94270 156.9
[M]+ 245.96748 168.2
[M]- 245.96858 168.2
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

patents stripe