CID 2892103

7-(1-phenylethoxy)-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula

C₂₀H₁₈O₃

SMILES

CC(C1=CC=CC=C1)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

InChI

InChI=1S/C20H18O3/c1-13(14-6-3-2-4-7-14)22-15-10-11-17-16-8-5-9-18(16)20(21)23-19(17)12-15/h2-4,6-7,10-13H,5,8-9H2,1H3

InChIKey

PLRRFMOUSARSTF-UHFFFAOYSA-N

Compound name

7-(1-phenylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.12558 Da
Monoisotopic Mass: 4.2
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]+	307.132856	170.0
[M+Na]+	329.114798	178.2
[M-H]-	305.118304	179.3
[M+NH4]+	324.159403	187.1
[M+K]+	345.088738	174.6
[M+H-H2O]+	289.122840	162.5
[M+HCOO]-	351.123781	189.9
[M+CH3COO]-	365.139431	182.1
[M+Na-2H]-	327.100246	174.2
[M]+	306.12503142	172.5
[M]-	306.12612858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.