CID 707752

10-(4-fluorophenyl)-7-methyl-1,2,3,4-tetrahydro-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C22H17FO3
SMILES
CC1=C2C(=CC3=C1OC(=O)C4=C3CCCC4)C(=CO2)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H17FO3/c1-12-20-18(19(11-25-20)13-6-8-14(23)9-7-13)10-17-15-4-2-3-5-16(15)22(24)26-21(12)17/h6-11H,2-5H2,1H3
InChIKey
XYFQMYZPNLLBOB-UHFFFAOYSA-N
Compound name
10-(4-fluorophenyl)-7-methyl-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12346 181.2
[M+Na]+ 371.10540 198.9
[M+NH4]+ 366.15000 190.9
[M+K]+ 387.07934 191.3
[M-H]- 347.10890 189.1
[M+Na-2H]- 369.09085 187.0
[M]+ 348.11563 186.4
[M]- 348.11673 186.4
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.