CID 2795572

3,5-dibromobenzo[b]furan

Structural Information

Molecular Formula
C8H4Br2O
SMILES
C1=CC2=C(C=C1Br)C(=CO2)Br
InChI
InChI=1S/C8H4Br2O/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H
InChIKey
FWNOZAIGDLGBGI-UHFFFAOYSA-N
Compound name
3,5-dibromo-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

literature stripe

Patent stripe

patents stripe