CID 104544498

1564967-53-8

Structural Information

Molecular Formula
C11H11ClO2
SMILES
CCC(=O)C1=CC(=CC2=C1OCC2)Cl
InChI
InChI=1S/C11H11ClO2/c1-2-10(13)9-6-8(12)5-7-3-4-14-11(7)9/h5-6H,2-4H2,1H3
InChIKey
NFHFVEYXZQFLCJ-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 143.7
[M+Na]+ 233.033968 153.3
[M-H]- 209.037474 149.0
[M+NH4]+ 228.078573 165.3
[M+K]+ 249.007908 150.3
[M+H-H2O]+ 193.042010 139.5
[M+HCOO]- 255.042951 160.9
[M+CH3COO]- 269.058601 185.2
[M+Na-2H]- 231.019416 148.3
[M]+ 210.04420142 147.3
[M]- 210.04529858 147.3
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.