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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12346 179.9
[M+Na]+ 371.10540 191.8
[M-H]- 347.10890 190.4
[M+NH4]+ 366.15000 195.6
[M+K]+ 387.07934 187.4
[M+H-H2O]+ 331.11344 171.2
[M+HCOO]- 393.11438 197.5
[M+CH3COO]- 407.13003 192.2
[M+Na-2H]- 369.09085 184.2
[M]+ 348.11563 183.1
[M]- 348.11673 183.1
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.