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

12
Patents

239.97859 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98587 144.7
[M+Na]+ 262.96781 158.4
[M-H]- 238.97131 152.0
[M+NH4]+ 258.01241 167.3
[M+K]+ 278.94175 148.1
[M+H-H2O]+ 222.97585 145.8
[M+HCOO]- 284.97679 166.5
[M+CH3COO]- 298.99244 185.5
[M+Na-2H]- 260.95326 153.5
[M]+ 239.97804 166.6
[M]- 239.97914 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