CID 707715

9-(4-chlorophenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1h)-one

Structural Information

Molecular Formula

C₂₀H₁₃ClO₃

SMILES

C1CC2=C(C1)C(=O)OC3=C2C=C4C(=C3)OC=C4C5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H13ClO3/c21-12-6-4-11(5-7-12)17-10-23-18-9-19-15(8-16(17)18)13-2-1-3-14(13)20(22)24-19/h4-10H,1-3H2

InChIKey

RFZLQZQWAHMOII-UHFFFAOYSA-N

Compound name

14-(4-chlorophenyl)-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 336.05533 Da
Monoisotopic Mass: 5.0
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]+	337.062606	176.1
[M+Na]+	359.044548	189.7
[M-H]-	335.048054	188.4
[M+NH4]+	354.089153	195.1
[M+K]+	375.018488	184.7
[M+H-H2O]+	319.052590	170.9
[M+HCOO]-	381.053531	193.3
[M+CH3COO]-	395.069181	189.9
[M+Na-2H]-	357.029996	180.2
[M]+	336.05478142	184.2
[M]-	336.05587858	184.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.