CID 363398

Nsc628301

Structural Information

Molecular Formula

C₂₄H₁₄O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C(C(=O)C3=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H14O2/c25-23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24(23)26)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

InChIKey

RVVINPXTKHEJOK-UHFFFAOYSA-N

Compound name

3,4-dinaphthalen-1-ylcyclobut-3-ene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 334.09937 Da
Monoisotopic Mass: 5.3
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]+	335.106646	174.9
[M+Na]+	357.088588	186.4
[M-H]-	333.092094	187.2
[M+NH4]+	352.133193	184.4
[M+K]+	373.062528	182.3
[M+H-H2O]+	317.096630	160.0
[M+HCOO]-	379.097571	198.0
[M+CH3COO]-	393.113221	187.3
[M+Na-2H]-	355.074036	182.2
[M]+	334.09882142	187.3
[M]-	334.09991858	187.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.