CID 82058

Dibenzyl oxalate

Structural Information

Molecular Formula

C₁₆H₁₄O₄

SMILES

C1=CC=C(C=C1)COC(=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H14O4/c17-15(19-11-13-7-3-1-4-8-13)16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

ZYZXGWGQYNTGAU-UHFFFAOYSA-N

Compound name

dibenzyl oxalate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1879
Patents: 270.0892 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]+	271.09648	161.2
[M+Na]+	293.07842	174.3
[M+NH4]+	288.12302	168.5
[M+K]+	309.05236	167.6
[M-H]-	269.08192	164.4
[M+Na-2H]-	291.06387	169.7
[M]+	270.08865	163.9
[M]-	270.08975	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe