CID 617610

126266-82-8

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]+ 241.085916 150.9
[M+Na]+ 263.067858 157.6
[M-H]- 239.071364 159.4
[M+NH4]+ 258.112463 166.2
[M+K]+ 279.041798 156.8
[M+H-H2O]+ 223.075900 143.3
[M+HCOO]- 285.076841 169.9
[M+CH3COO]- 299.092491 163.5
[M+Na-2H]- 261.053306 159.2
[M]+ 240.07809142 150.8
[M]- 240.07918858 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.