CID 7597

Diphenyl carbonate

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

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

InChI

InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H

InChIKey

ROORDVPLFPIABK-UHFFFAOYSA-N

Compound name

diphenyl carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 87027
Patents: 214.06299 Da
Monoisotopic Mass: 3.3
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]+	215.07027	145.6
[M+Na]+	237.05221	160.2
[M+NH4]+	232.09681	154.4
[M+K]+	253.02615	152.9
[M-H]-	213.05571	149.9
[M+Na-2H]-	235.03766	155.9
[M]+	214.06244	149.0
[M]-	214.06354	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe