CID 129319348

4,7-dibromo-1-benzofuran

Structural Information

Molecular Formula
C8H4Br2O
SMILES
C1=CC(=C2C(=C1Br)C=CO2)Br
InChI
InChI=1S/C8H4Br2O/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4H
InChIKey
QIHXCZSCMCCRBD-UHFFFAOYSA-N
Compound name
4,7-dibromo-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.86288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.87016 138.0
[M+Na]+ 296.85210 151.5
[M-H]- 272.85560 146.9
[M+NH4]+ 291.89670 159.7
[M+K]+ 312.82604 138.0
[M+H-H2O]+ 256.86014 147.4
[M+HCOO]- 318.86108 156.1
[M+CH3COO]- 332.87673 154.1
[M+Na-2H]- 294.83755 147.4
[M]+ 273.86233 174.5
[M]- 273.86343 174.5
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

patents stripe