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]+ 243.001526 149.1
[M+Na]+ 264.983468 160.6
[M-H]- 240.986974 155.8
[M+NH4]+ 260.028073 171.4
[M+K]+ 280.957408 150.9
[M+H-H2O]+ 224.991510 150.3
[M+HCOO]- 286.992451 167.2
[M+CH3COO]- 301.008101 186.8
[M+Na-2H]- 262.968916 154.8
[M]+ 241.99370142 167.7
[M]- 241.99479858 167.7
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.