CID 978396

3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methyl-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula

C₂₃H₁₇FO₅

SMILES

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C23H17FO5/c1-13-20(28-12-19(25)14-7-9-21(27-2)18(24)11-14)10-8-16-15-5-3-4-6-17(15)23(26)29-22(13)16/h3-11H,12H2,1-2H3

InChIKey

SHCDELSNECNYEH-UHFFFAOYSA-N

Compound name

3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 392.106 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]+	393.113276	191.5
[M+Na]+	415.095218	202.7
[M-H]-	391.098724	200.5
[M+NH4]+	410.139823	203.5
[M+K]+	431.069158	199.2
[M+H-H2O]+	375.103260	180.6
[M+HCOO]-	437.104201	211.3
[M+CH3COO]-	451.119851	224.2
[M+Na-2H]-	413.080666	196.1
[M]+	392.10545142	199.1
[M]-	392.10654858	199.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.