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]+ 211.05203 143.7
[M+Na]+ 233.03397 153.3
[M-H]- 209.03747 149.0
[M+NH4]+ 228.07857 165.3
[M+K]+ 249.00791 150.3
[M+H-H2O]+ 193.04201 139.5
[M+HCOO]- 255.04295 160.9
[M+CH3COO]- 269.05860 185.2
[M+Na-2H]- 231.01942 148.3
[M]+ 210.04420 147.3
[M]- 210.04530 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.