CID 707852

3-(4-fluorophenyl)-4-methyl-8,9,10,11-tetrahydro-7h-benzo[c]furo[2,3-f]chromen-7-one

Structural Information

Molecular Formula

C₂₂H₁₇FO₃

SMILES

CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C4=C1C(=CO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H17FO3/c1-12-10-18-20(15-4-2-3-5-16(15)22(24)26-18)21-19(12)17(11-25-21)13-6-8-14(23)9-7-13/h6-11H,2-5H2,1H3

InChIKey

OOSNLCPJMPBAKE-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-4-methyl-8,9,10,11-tetrahydro-[1]benzofuro[6,7-c]isochromen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 348.11618 Da
Monoisotopic Mass: 5.3
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]+	349.123456	179.9
[M+Na]+	371.105398	191.8
[M-H]-	347.108904	190.4
[M+NH4]+	366.150003	195.6
[M+K]+	387.079338	187.4
[M+H-H2O]+	331.113440	171.2
[M+HCOO]-	393.114381	197.5
[M+CH3COO]-	407.130031	192.2
[M+Na-2H]-	369.090846	184.2
[M]+	348.11563142	183.1
[M]-	348.11672858	183.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.