CID 797455

3-(4-fluorophenoxy)-2,8-dimethyl-4-oxo-4h-chromen-7-yl acetate

Structural Information

Molecular Formula
C19H15FO5
SMILES
CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)F)C)OC(=O)C
InChI
InChI=1S/C19H15FO5/c1-10-16(24-12(3)21)9-8-15-17(22)19(11(2)23-18(10)15)25-14-6-4-13(20)5-7-14/h4-9H,1-3H3
InChIKey
AXNUEOINFFKGKO-UHFFFAOYSA-N
Compound name
[3-(4-fluorophenoxy)-2,8-dimethyl-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.09036 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09764 175.8
[M+Na]+ 365.07958 187.0
[M-H]- 341.08308 184.2
[M+NH4]+ 360.12418 189.5
[M+K]+ 381.05352 184.8
[M+H-H2O]+ 325.08762 166.5
[M+HCOO]- 387.08856 196.4
[M+CH3COO]- 401.10421 214.0
[M+Na-2H]- 363.06503 179.1
[M]+ 342.08981 182.3
[M]- 342.09091 182.3
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

No patent data available for this compound.