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]+ 213.067686 145.2
[M+Na]+ 235.049628 154.1
[M-H]- 211.053134 149.1
[M+NH4]+ 230.094233 166.0
[M+K]+ 251.023568 150.8
[M+H-H2O]+ 195.057670 141.2
[M+HCOO]- 257.058611 160.7
[M+CH3COO]- 271.074261 183.4
[M+Na-2H]- 233.035076 149.3
[M]+ 212.05986142 147.7
[M]- 212.06095858 147.7
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.