CID 617610

5-benzoyl-1,3-benzodioxolane

Structural Information

Molecular Formula
C15H12O3
SMILES
C1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)OCO1
InChI
InChI=1S/C15H12O3/c16-15(11-4-2-1-3-5-11)12-6-7-14-13(8-12)9-17-10-18-14/h1-8H,9-10H2
InChIKey
KCASBLURSLOWEG-UHFFFAOYSA-N
Compound name
4H-1,3-benzodioxin-6-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 150.9
[M+Na]+ 263.06786 157.6
[M-H]- 239.07136 159.4
[M+NH4]+ 258.11246 166.2
[M+K]+ 279.04180 156.8
[M+H-H2O]+ 223.07590 143.3
[M+HCOO]- 285.07684 169.9
[M+CH3COO]- 299.09249 163.5
[M+Na-2H]- 261.05331 159.2
[M]+ 240.07809 150.8
[M]- 240.07919 150.8
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

No patent data available for this compound.