CID 92219

5411-12-1

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: 312
Patents: 224.08372 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.09100	145.5
[M+Na]+	247.07294	154.6
[M-H]-	223.07644	156.7
[M+NH4]+	242.11754	157.4
[M+K]+	263.04688	152.5
[M+H-H2O]+	207.08098	137.8
[M+HCOO]-	269.08192	169.0
[M+CH3COO]-	283.09757	158.8
[M+Na-2H]-	245.05839	152.7
[M]+	224.08317	148.5
[M]-	224.08427	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe