CID 104831143

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

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC1=CC2=C(C(=C1)Br)OCC2O
InChI
InChI=1S/C9H9BrO3/c1-12-5-2-6-8(11)4-13-9(6)7(10)3-5/h2-3,8,11H,4H2,1H3
InChIKey
NYHMKKGZKOJEBF-UHFFFAOYSA-N
Compound name
7-bromo-5-methoxy-2,3-dihydro-1-benzofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.97351 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 145.5
[M+Na]+ 266.962728 158.4
[M-H]- 242.966234 152.6
[M+NH4]+ 262.007333 168.0
[M+K]+ 282.936668 149.0
[M+H-H2O]+ 226.970770 146.7
[M+HCOO]- 288.971711 165.0
[M+CH3COO]- 302.987361 186.3
[M+Na-2H]- 264.948176 152.5
[M]+ 243.97296142 166.1
[M]- 243.97405858 166.1
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

No patent data available for this compound.