CID 104543104

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol

Structural Information

Molecular Formula
C11H13ClO2
SMILES
CCC(C1=CC(=CC2=C1OCC2)Cl)O
InChI
InChI=1S/C11H13ClO2/c1-2-10(13)9-6-8(12)5-7-3-4-14-11(7)9/h5-6,10,13H,2-4H2,1H3
InChIKey
MBAMPRVHYVNKDG-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06041 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06769 142.7
[M+Na]+ 235.04963 155.5
[M+NH4]+ 230.09423 152.1
[M+K]+ 251.02357 150.9
[M-H]- 211.05313 145.8
[M+Na-2H]- 233.03508 147.0
[M]+ 212.05986 145.7
[M]- 212.06096 145.7
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.