CID 707751

10-(4-fluorophenyl)-1,2,3,4-tetrahydro-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C21H15FO3
SMILES
C1CCC2=C(C1)C3=C(C=C4C(=C3)C(=CO4)C5=CC=C(C=C5)F)OC2=O
InChI
InChI=1S/C21H15FO3/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/h5-11H,1-4H2
InChIKey
CNDBAHOVONZEBJ-UHFFFAOYSA-N
Compound name
10-(4-fluorophenyl)-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.10052 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10780 174.2
[M+Na]+ 357.08974 185.7
[M-H]- 333.09324 184.6
[M+NH4]+ 352.13434 190.3
[M+K]+ 373.06368 181.5
[M+H-H2O]+ 317.09778 165.6
[M+HCOO]- 379.09872 192.3
[M+CH3COO]- 393.11437 186.7
[M+Na-2H]- 355.07519 179.8
[M]+ 334.09997 176.8
[M]- 334.10107 176.8
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.