CID 18475

Diphenyl oxalate

Structural Information

Molecular Formula

C₁₄H₁₀O₄

SMILES

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

InChI

InChI=1S/C14H10O4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H

InChIKey

ULOZDEVJRTYKFE-UHFFFAOYSA-N

Compound name

diphenyl oxalate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1969
Patents: 242.0579 Da
Monoisotopic Mass: 3.5
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]+	243.06518	152.2
[M+Na]+	265.04712	165.7
[M+NH4]+	260.09172	159.8
[M+K]+	281.02106	159.5
[M-H]-	241.05062	155.4
[M+Na-2H]-	263.03257	161.2
[M]+	242.05735	154.9
[M]-	242.05845	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe