CID 120570

Naphthylin

Structural Information

Molecular Formula

C₁₉H₁₂O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2C3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H12O2/c20-18-15-9-3-4-10-16(15)19(21)17(18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11,17H

InChIKey

CVLPPWGDNNZTRW-UHFFFAOYSA-N

Compound name

2-naphthalen-1-ylindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 432
Patents: 272.08374 Da
Monoisotopic Mass: 4.1
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]+	273.09102	161.0
[M+Na]+	295.07296	177.7
[M+NH4]+	290.11756	171.5
[M+K]+	311.04690	169.8
[M-H]-	271.07646	167.1
[M+Na-2H]-	293.05841	169.5
[M]+	272.08319	165.3
[M]-	272.08429	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe