CID 69272063

7-bromo-1-benzofuran-4-ol

Structural Information

Molecular Formula
C8H5BrO2
SMILES
C1=CC(=C2C(=C1O)C=CO2)Br
InChI
InChI=1S/C8H5BrO2/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,10H
InChIKey
FBRZSXTZTFEGLC-UHFFFAOYSA-N
Compound name
7-bromo-1-benzofuran-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

211.9473 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95458 135.0
[M+Na]+ 234.93652 149.5
[M-H]- 210.94002 142.7
[M+NH4]+ 229.98112 158.7
[M+K]+ 250.91046 139.7
[M+H-H2O]+ 194.94456 136.5
[M+HCOO]- 256.94550 157.5
[M+CH3COO]- 270.96115 152.1
[M+Na-2H]- 232.92197 145.0
[M]+ 211.94675 156.3
[M]- 211.94785 156.3
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