CID 797059

Brn 5448048

Structural Information

Molecular Formula
C17H11FO5
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)F
InChI
InChI=1S/C17H11FO5/c1-10(19)22-13-6-7-14-15(8-13)21-9-16(17(14)20)23-12-4-2-11(18)3-5-12/h2-9H,1H3
InChIKey
PZECMCKZOOZRSV-UHFFFAOYSA-N
Compound name
[3-(4-fluorophenoxy)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
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 166.6
[M+Na]+ 337.04827 177.0
[M-H]- 313.05177 174.6
[M+NH4]+ 332.09287 180.9
[M+K]+ 353.02221 174.9
[M+H-H2O]+ 297.05631 157.4
[M+HCOO]- 359.05725 188.0
[M+CH3COO]- 373.07290 205.5
[M+Na-2H]- 335.03372 172.4
[M]+ 314.05850 171.6
[M]- 314.05960 171.6
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