CID 112756246

(1s)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethan-1-ol

Structural Information

Molecular Formula
C10H11BrO2
SMILES
C[C@@H](C1=CC(=CC2=C1OCC2)Br)O
InChI
InChI=1S/C10H11BrO2/c1-6(12)9-5-8(11)4-7-2-3-13-10(7)9/h4-6,12H,2-3H2,1H3/t6-/m0/s1
InChIKey
NSJZAQQYJDVUEW-LURJTMIESA-N
Compound name
(1S)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 146.4
[M+Na]+ 264.98347 148.9
[M+NH4]+ 260.02807 151.7
[M+K]+ 280.95741 150.9
[M-H]- 240.98697 147.7
[M+Na-2H]- 262.96892 147.4
[M]+ 241.99370 145.9
[M]- 241.99480 145.9
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.