CID 22274657

2-(5-bromo-1-benzofuran-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1=CC2=C(C=C1Br)C=C(O2)CCO
InChI
InChI=1S/C10H9BrO2/c11-8-1-2-10-7(5-8)6-9(13-10)3-4-12/h1-2,5-6,12H,3-4H2
InChIKey
CBURFCSPYDRJQA-UHFFFAOYSA-N
Compound name
2-(5-bromo-1-benzofuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

239.97859 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 144.7
[M+Na]+ 262.967808 158.4
[M-H]- 238.971314 152.0
[M+NH4]+ 258.012413 167.3
[M+K]+ 278.941748 148.1
[M+H-H2O]+ 222.975850 145.8
[M+HCOO]- 284.976791 166.5
[M+CH3COO]- 298.992441 185.5
[M+Na-2H]- 260.953256 153.5
[M]+ 239.97804142 166.6
[M]- 239.97913858 166.6
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