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 149.1
[M+Na]+ 264.98347 160.6
[M-H]- 240.98697 155.8
[M+NH4]+ 260.02807 171.4
[M+K]+ 280.95741 150.9
[M+H-H2O]+ 224.99151 150.3
[M+HCOO]- 286.99245 167.2
[M+CH3COO]- 301.00810 186.8
[M+Na-2H]- 262.96892 154.8
[M]+ 241.99370 167.7
[M]- 241.99480 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.