CID 31494

1-(4-methoxy-phenyl)-2-phenyl-ethane-1,2-dione

Structural Information

Molecular Formula
C15H12O3
SMILES
COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
NTINAJCDYRYMML-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-phenylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

136
Patents

240.07864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 151.9
[M+Na]+ 263.06786 158.8
[M-H]- 239.07136 158.6
[M+NH4]+ 258.11246 168.8
[M+K]+ 279.04180 156.2
[M+H-H2O]+ 223.07590 144.4
[M+HCOO]- 285.07684 175.0
[M+CH3COO]- 299.09249 192.3
[M+Na-2H]- 261.05331 156.3
[M]+ 240.07809 153.3
[M]- 240.07919 153.3
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