CID 707700

3-(4-chlorophenyl)-5-ethyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula

C₁₉H₁₃ClO₃

SMILES

CCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H13ClO3/c1-2-11-7-19(21)23-18-9-17-15(8-14(11)18)16(10-22-17)12-3-5-13(20)6-4-12/h3-10H,2H2,1H3

InChIKey

JGRYAQCUSKYMAX-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-5-ethylfuro[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 324.05533 Da
Monoisotopic Mass: 4.9
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]+	325.062606	173.4
[M+Na]+	347.044548	187.4
[M-H]-	323.048054	184.8
[M+NH4]+	342.089153	190.5
[M+K]+	363.018488	182.9
[M+H-H2O]+	307.052590	167.1
[M+HCOO]-	369.053531	191.9
[M+CH3COO]-	383.069181	187.5
[M+Na-2H]-	345.029996	179.7
[M]+	324.05478142	183.0
[M]-	324.05587858	183.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.