CID 2783479

Diphenyl malonate

Structural Information

Molecular Formula

C₁₅H₁₂O₄

SMILES

C1=CC=C(C=C1)OC(=O)CC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C15H12O4/c16-14(18-12-7-3-1-4-8-12)11-15(17)19-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

HCWOVPZEAFLXPL-UHFFFAOYSA-N

Compound name

diphenyl propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2668
Patents: 256.07355 Da
Monoisotopic Mass: 2.9
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]+	257.08083	156.5
[M+Na]+	279.06277	169.8
[M+NH4]+	274.10737	164.0
[M+K]+	295.03671	163.4
[M-H]-	255.06627	159.7
[M+Na-2H]-	277.04822	165.3
[M]+	256.07300	159.2
[M]-	256.07410	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe