CID 625072

25116-35-2

Structural Information

Molecular Formula

C₂₀H₁₂O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H12O2/c21-19-16-10-3-4-11-17(16)20(22)18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H

InChIKey

RKTHUQXKUDGALL-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-ylmethylidene)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 284.08374 Da
Monoisotopic Mass: 4.8
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]+	285.091016	164.4
[M+Na]+	307.072958	174.5
[M-H]-	283.076464	173.5
[M+NH4]+	302.117563	184.0
[M+K]+	323.046898	167.5
[M+H-H2O]+	267.081000	157.1
[M+HCOO]-	329.081941	186.5
[M+CH3COO]-	343.097591	177.3
[M+Na-2H]-	305.058406	168.5
[M]+	284.08319142	164.5
[M]-	284.08428858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe