CID 707824

10-(4-fluorophenyl)-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C21H11FO3
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3OC2=O)OC=C4C5=CC=C(C=C5)F
InChI
InChI=1S/C21H11FO3/c22-13-7-5-12(6-8-13)18-11-24-19-10-20-16(9-17(18)19)14-3-1-2-4-15(14)21(23)25-20/h1-11H
InChIKey
BUEFOEZWZNFDAC-UHFFFAOYSA-N
Compound name
10-(4-fluorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.0692 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07648 173.2
[M+Na]+ 353.05842 187.7
[M-H]- 329.06192 184.7
[M+NH4]+ 348.10302 189.6
[M+K]+ 369.03236 183.2
[M+H-H2O]+ 313.06646 164.5
[M+HCOO]- 375.06740 195.4
[M+CH3COO]- 389.08305 187.1
[M+Na-2H]- 351.04387 181.5
[M]+ 330.06865 179.9
[M]- 330.06975 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.