CID 5213536

9-[(2-fluorobenzyl)oxy]-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C20H17FO3
SMILES
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC4=CC=CC=C4F
InChI
InChI=1S/C20H17FO3/c1-12-9-17(23-11-13-5-2-3-8-16(13)21)19-14-6-4-7-15(14)20(22)24-18(19)10-12/h2-3,5,8-10H,4,6-7,11H2,1H3
InChIKey
QJHBVCQXVIJLDF-UHFFFAOYSA-N
Compound name
9-[(2-fluorophenyl)methoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.11618 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12346 173.5
[M+Na]+ 347.10540 184.0
[M-H]- 323.10890 182.2
[M+NH4]+ 342.15000 190.6
[M+K]+ 363.07934 179.5
[M+H-H2O]+ 307.11344 165.3
[M+HCOO]- 369.11438 193.4
[M+CH3COO]- 383.13003 185.9
[M+Na-2H]- 345.09085 176.9
[M]+ 324.11563 176.5
[M]- 324.11673 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe