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]+ 244.98079 145.5
[M+Na]+ 266.96273 158.4
[M-H]- 242.96623 152.6
[M+NH4]+ 262.00733 168.0
[M+K]+ 282.93667 149.0
[M+H-H2O]+ 226.97077 146.7
[M+HCOO]- 288.97171 165.0
[M+CH3COO]- 302.98736 186.3
[M+Na-2H]- 264.94818 152.5
[M]+ 243.97296 166.1
[M]- 243.97406 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.