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

4
Annotation Hits: 25
References: 94110
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	144.8
[M+Na]+	237.05221	151.8
[M-H]-	213.05571	151.5
[M+NH4]+	232.09681	162.8
[M+K]+	253.02615	149.8
[M+H-H2O]+	197.06025	137.4
[M+HCOO]-	259.06119	169.4
[M+CH3COO]-	273.07684	183.9
[M+Na-2H]-	235.03766	152.2
[M]+	214.06244	146.3
[M]-	214.06354	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe