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

18
Patents

211.9473 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.954576 135.0
[M+Na]+ 234.936518 149.5
[M-H]- 210.940024 142.7
[M+NH4]+ 229.981123 158.7
[M+K]+ 250.910458 139.7
[M+H-H2O]+ 194.944560 136.5
[M+HCOO]- 256.945501 157.5
[M+CH3COO]- 270.961151 152.1
[M+Na-2H]- 232.921966 145.0
[M]+ 211.94675142 156.3
[M]- 211.94784858 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