CID 2305085

Brn 2289742

Structural Information

Molecular Formula

C₁₆H₁₂O₄

SMILES

CC1=CC(=C(C=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C16H12O4/c1-9-6-7-13(17)12(8-9)16(20)14(18)10-4-2-3-5-11(10)15(16)19/h2-8,17,20H,1H3

InChIKey

LQDQHPLNQIOWEM-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(2-hydroxy-5-methylphenyl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 268.07355 Da
Monoisotopic Mass: 2.3
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]+	269.080826	157.1
[M+Na]+	291.062768	168.1
[M-H]-	267.066274	163.7
[M+NH4]+	286.107373	177.6
[M+K]+	307.036708	163.1
[M+H-H2O]+	251.070810	151.8
[M+HCOO]-	313.071751	178.1
[M+CH3COO]-	327.087401	193.2
[M+Na-2H]-	289.048216	160.8
[M]+	268.07300142	158.1
[M]-	268.07409858	158.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.