CID 92219

2-benzoyl-3-phenyloxirane

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H
InChIKey
UQGMJZQVDNZRKT-UHFFFAOYSA-N
Compound name
phenyl-(3-phenyloxiran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

304
Patents

224.08372 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 152.4
[M+Na]+ 247.07294 169.2
[M+NH4]+ 242.11754 162.3
[M+K]+ 263.04688 162.9
[M-H]- 223.07644 166.4
[M+Na-2H]- 245.05839 165.0
[M]+ 224.08317 160.1
[M]- 224.08427 160.1
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