CID 21414363

3-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one

Structural Information

Molecular Formula
C11H11ClO3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)CCCl
InChI
InChI=1S/C11H11ClO3/c12-4-3-9(13)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,7H,3-6H2
InChIKey
NLQJAQIXEFYSKJ-UHFFFAOYSA-N
Compound name
3-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

226.03967 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 145.6
[M+Na]+ 249.02889 153.3
[M-H]- 225.03239 150.9
[M+NH4]+ 244.07349 162.9
[M+K]+ 265.00283 152.2
[M+H-H2O]+ 209.03693 140.3
[M+HCOO]- 271.03787 159.9
[M+CH3COO]- 285.05352 186.7
[M+Na-2H]- 247.01434 153.3
[M]+ 226.03912 148.8
[M]- 226.04022 148.8
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

patents stripe