CID 721083

303134-61-4

Structural Information

Molecular Formula
C19H15FO3
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC4=CC=C(C=C4)F
InChI
InChI=1S/C19H15FO3/c20-13-6-4-12(5-7-13)11-22-14-8-9-16-15-2-1-3-17(15)19(21)23-18(16)10-14/h4-10H,1-3,11H2
InChIKey
JQRTYSCTPRCTEF-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.10052 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10780 168.4
[M+Na]+ 333.08974 178.5
[M-H]- 309.09324 176.9
[M+NH4]+ 328.13434 185.8
[M+K]+ 349.06368 174.1
[M+H-H2O]+ 293.09778 160.1
[M+HCOO]- 355.09872 188.7
[M+CH3COO]- 369.11437 181.0
[M+Na-2H]- 331.07519 173.1
[M]+ 310.09997 170.7
[M]- 310.10107 170.7
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.