CID 65721826

5-bromo-2,3-dihydro-1-benzofuran-3-ol

Structural Information

Molecular Formula
C8H7BrO2
SMILES
C1C(C2=C(O1)C=CC(=C2)Br)O
InChI
InChI=1S/C8H7BrO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3,7,10H,4H2
InChIKey
QKYZCEGIXWRWLB-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1-benzofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.96294 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.970216 138.6
[M+Na]+ 236.952158 151.3
[M-H]- 212.955664 145.6
[M+NH4]+ 231.996763 162.1
[M+K]+ 252.926098 141.7
[M+H-H2O]+ 196.960200 140.1
[M+HCOO]- 258.961141 158.4
[M+CH3COO]- 272.976791 180.4
[M+Na-2H]- 234.937606 146.7
[M]+ 213.96239142 157.2
[M]- 213.96348858 157.2
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