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

0
Patents

213.96294 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 138.6
[M+Na]+ 236.95216 151.3
[M-H]- 212.95566 145.6
[M+NH4]+ 231.99676 162.1
[M+K]+ 252.92610 141.7
[M+H-H2O]+ 196.96020 140.1
[M+HCOO]- 258.96114 158.4
[M+CH3COO]- 272.97679 180.4
[M+Na-2H]- 234.93761 146.7
[M]+ 213.96239 157.2
[M]- 213.96349 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

No patent data available for this compound.