CID 237108

6312-53-4

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

C1CC(=O)C2=C(C1=O)C=CC=C2O

InChI

InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,12H,4-5H2

InChIKey

VYTBDSUNRJYVHL-UHFFFAOYSA-N

Compound name

5-hydroxy-2,3-dihydronaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3942
Patents: 176.04735 Da
Monoisotopic Mass: 1.6
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]+	177.05463	133.4
[M+Na]+	199.03657	146.6
[M+NH4]+	194.08117	142.2
[M+K]+	215.01051	140.5
[M-H]-	175.04007	135.3
[M+Na-2H]-	197.02202	138.9
[M]+	176.04680	135.7
[M]-	176.04790	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe