CID 2732537

71313-34-3

Structural Information

Molecular Formula

C₁₉H₁₈O₄

SMILES

CC(C)(C)C1=CC=CC(=C1O)C2(C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C19H18O4/c1-18(2,3)13-9-6-10-14(15(13)20)19(23)16(21)11-7-4-5-8-12(11)17(19)22/h4-10,20,23H,1-3H3

InChIKey

URZMIGWRSLFRNK-UHFFFAOYSA-N

Compound name

2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxyindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 310.1205 Da
Monoisotopic Mass: 3.6
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]+	311.127776	171.1
[M+Na]+	333.109718	181.2
[M-H]-	309.113224	177.5
[M+NH4]+	328.154323	190.1
[M+K]+	349.083658	176.4
[M+H-H2O]+	293.117760	166.2
[M+HCOO]-	355.118701	189.5
[M+CH3COO]-	369.134351	202.0
[M+Na-2H]-	331.095166	174.4
[M]+	310.11995142	172.7
[M]-	310.12104858	172.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.