CID 77627

O-(benzoyloxy)acetophenone

Structural Information

Molecular Formula
C15H12O3
SMILES
CC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O3/c1-11(16)13-9-5-6-10-14(13)18-15(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
UEVPPUDQJRWOLT-UHFFFAOYSA-N
Compound name
(2-acetylphenyl) benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

240.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 152.1
[M+Na]+ 263.06786 159.1
[M-H]- 239.07136 158.9
[M+NH4]+ 258.11246 169.1
[M+K]+ 279.04180 156.6
[M+H-H2O]+ 223.07590 144.6
[M+HCOO]- 285.07684 175.2
[M+CH3COO]- 299.09249 191.7
[M+Na-2H]- 261.05331 156.5
[M]+ 240.07809 153.5
[M]- 240.07919 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe