CID 797411

Brn 5449382

Structural Information

Molecular Formula
C17H11FO5
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3F
InChI
InChI=1S/C17H11FO5/c1-10(19)22-11-6-7-12-15(8-11)21-9-16(17(12)20)23-14-5-3-2-4-13(14)18/h2-9H,1H3
InChIKey
CJWWSRKILKZJHK-UHFFFAOYSA-N
Compound name
[3-(2-fluorophenoxy)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

314.05905 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06633 168.7
[M+Na]+ 337.04827 184.1
[M+NH4]+ 332.09287 175.6
[M+K]+ 353.02221 177.4
[M-H]- 313.05177 172.7
[M+Na-2H]- 335.03372 175.9
[M]+ 314.05850 172.1
[M]- 314.05960 172.1
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