CID 65719557

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

Structural Information

Molecular Formula
C9H9BrO2
SMILES
CC1=CC2=C(C(=C1)Br)OCC2O
InChI
InChI=1S/C9H9BrO2/c1-5-2-6-8(11)4-12-9(6)7(10)3-5/h2-3,8,11H,4H2,1H3
InChIKey
ZUAGOJVQIMCGHK-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-2,3-dihydro-1-benzofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.97859 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.985866 143.0
[M+Na]+ 250.967808 156.1
[M-H]- 226.971314 150.2
[M+NH4]+ 246.012413 166.2
[M+K]+ 266.941748 146.2
[M+H-H2O]+ 210.975850 144.5
[M+HCOO]- 272.976791 162.4
[M+CH3COO]- 286.992441 184.3
[M+Na-2H]- 248.953256 149.9
[M]+ 227.97804142 162.3
[M]- 227.97913858 162.3
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.