CID 20502

Dtxsid30963215

Structural Information

Molecular Formula
C16H12O3
SMILES
C1=CC=C(C=C1)C(=O)C2C(O2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O3/c17-13(11-7-3-1-4-8-11)15-16(19-15)14(18)12-9-5-2-6-10-12/h1-10,15-16H
InChIKey
ADFLDJCSCJHDEY-UHFFFAOYSA-N
Compound name
(3-benzoyloxiran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

252.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 152.4
[M+Na]+ 275.06786 160.9
[M-H]- 251.07136 163.4
[M+NH4]+ 270.11246 162.8
[M+K]+ 291.04180 158.8
[M+H-H2O]+ 235.07590 144.4
[M+HCOO]- 297.07684 174.8
[M+CH3COO]- 311.09249 196.8
[M+Na-2H]- 273.05331 157.8
[M]+ 252.07809 155.9
[M]- 252.07919 155.9
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