CID 31494

4-methoxybenzil

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: 122
Patents: 240.07864 Da
Monoisotopic Mass: 3.4
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]+	241.08592	152.7
[M+Na]+	263.06786	166.8
[M+NH4]+	258.11246	160.7
[M+K]+	279.04180	160.1
[M-H]-	239.07136	156.5
[M+Na-2H]-	261.05331	161.8
[M]+	240.07809	155.8
[M]-	240.07919	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe