CID 622331

27533-97-7

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

CCOC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H14O3/c1-2-20-12-9-7-11(8-10-12)15-16(18)13-5-3-4-6-14(13)17(15)19/h3-10,15H,2H2,1H3

InChIKey

OYBQKBPVEKHJTK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 266.0943 Da
Monoisotopic Mass: 3.2
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]+	267.101576	158.6
[M+Na]+	289.083518	168.2
[M-H]-	265.087024	166.9
[M+NH4]+	284.128123	178.2
[M+K]+	305.057458	163.8
[M+H-H2O]+	249.091560	151.9
[M+HCOO]-	311.092501	182.1
[M+CH3COO]-	325.108151	198.0
[M+Na-2H]-	287.068966	161.8
[M]+	266.09375142	161.3
[M]-	266.09484858	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.