CID 3649378

Dibenzyl pyrocarbonate

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

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

InChI

InChI=1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

FHRRJZZGSJXPRQ-UHFFFAOYSA-N

Compound name

benzyl phenylmethoxycarbonyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1383
Patents: 286.08414 Da
Monoisotopic Mass: 3.7
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]+	287.09142	164.2
[M+Na]+	309.07336	169.8
[M-H]-	285.07686	170.5
[M+NH4]+	304.11796	179.0
[M+K]+	325.04730	168.2
[M+H-H2O]+	269.08140	155.8
[M+HCOO]-	331.08234	187.4
[M+CH3COO]-	345.09799	195.7
[M+Na-2H]-	307.05881	168.8
[M]+	286.08359	168.1
[M]-	286.08469	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe