CID 66545161

(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1COC2=C1C=C(C=C2Br)CO
InChI
InChI=1S/C9H9BrO2/c10-8-4-6(5-11)3-7-1-2-12-9(7)8/h3-4,11H,1-2,5H2
InChIKey
FUUZXKAWKKIDRQ-UHFFFAOYSA-N
Compound name
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

227.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.985866 143.4
[M+Na]+ 250.967808 155.6
[M-H]- 226.971314 150.2
[M+NH4]+ 246.012413 166.3
[M+K]+ 266.941748 145.8
[M+H-H2O]+ 210.975850 144.7
[M+HCOO]- 272.976791 162.8
[M+CH3COO]- 286.992441 183.2
[M+Na-2H]- 248.953256 150.9
[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

patents stripe