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
2
Annotation Hits

6
References

1289
Patents

245.96803 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.975306 146.3
[M+Na]+ 268.957248 160.9
[M-H]- 244.960754 155.9
[M+NH4]+ 264.001853 170.3
[M+K]+ 284.931188 150.7
[M+H-H2O]+ 228.965290 147.5
[M+HCOO]- 290.966231 168.6
[M+CH3COO]- 304.981881 163.1
[M+Na-2H]- 266.942696 156.9
[M]+ 245.96748142 168.2
[M]- 245.96857858 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