CID 84680724

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

Structural Information

Molecular Formula
C8H7BrO2
SMILES
C1COC2=C1C=C(C=C2Br)O
InChI
InChI=1S/C8H7BrO2/c9-7-4-6(10)3-5-1-2-11-8(5)7/h3-4,10H,1-2H2
InChIKey
NRAVGOYGGNRSCU-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

213.96294 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 138.4
[M+Na]+ 236.95216 141.6
[M+NH4]+ 231.99676 144.1
[M+K]+ 252.92610 143.4
[M-H]- 212.95566 140.0
[M+Na-2H]- 234.93761 140.3
[M]+ 213.96239 138.1
[M]- 213.96349 138.1
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