CID 350421

2-(4-hydroxyphenyl)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula

C₁₅H₁₀O₃

SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C15H10O3/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13,16H

InChIKey

VTQJAXNKAJABAA-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 21
Patents: 238.06299 Da
Monoisotopic Mass: 2.6
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]+	239.070266	149.5
[M+Na]+	261.052208	159.7
[M-H]-	237.055714	156.9
[M+NH4]+	256.096813	169.6
[M+K]+	277.026148	154.8
[M+H-H2O]+	221.060250	143.5
[M+HCOO]-	283.061191	172.2
[M+CH3COO]-	297.076841	189.6
[M+Na-2H]-	259.037656	153.4
[M]+	238.06244142	149.7
[M]-	238.06353858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe