CID 12336399

5-phenylnaphthalene-1,4-dione

Structural Information

Molecular Formula

C₁₆H₁₀O₂

SMILES

C1=CC=C(C=C1)C2=C3C(=O)C=CC(=O)C3=CC=C2

InChI

InChI=1S/C16H10O2/c17-14-9-10-15(18)16-12(7-4-8-13(14)16)11-5-2-1-3-6-11/h1-10H

InChIKey

LUVNBFPWKLTVLZ-UHFFFAOYSA-N

Compound name

5-phenylnaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 234.06808 Da
Monoisotopic Mass: 3.1
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]+	235.07536	148.9
[M+Na]+	257.05730	158.4
[M-H]-	233.06080	157.0
[M+NH4]+	252.10190	167.7
[M+K]+	273.03124	153.5
[M+H-H2O]+	217.06534	141.5
[M+HCOO]-	279.06628	171.8
[M+CH3COO]-	293.08193	162.4
[M+Na-2H]-	255.04275	156.0
[M]+	234.06753	148.5
[M]-	234.06863	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe