CID 18478

Di-1-naphthyl carbonate

Structural Information

Molecular Formula

C₂₁H₁₄O₃

SMILES

C1=CC=C2C(=C1)C=CC=C2OC(=O)OC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H14O3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

InChIKey

ZQUZPFYNEARCQO-UHFFFAOYSA-N

Compound name

dinaphthalen-1-yl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5378
Patents: 314.0943 Da
Monoisotopic Mass: 6.0
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]+	315.10158	171.6
[M+Na]+	337.08352	190.1
[M+NH4]+	332.12812	181.7
[M+K]+	353.05746	179.9
[M-H]-	313.08702	178.4
[M+Na-2H]-	335.06897	183.0
[M]+	314.09375	176.6
[M]-	314.09485	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe