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]+ 343.097636 175.8
[M+Na]+ 365.079578 187.0
[M-H]- 341.083084 184.2
[M+NH4]+ 360.124183 189.5
[M+K]+ 381.053518 184.8
[M+H-H2O]+ 325.087620 166.5
[M+HCOO]- 387.088561 196.4
[M+CH3COO]- 401.104211 214.0
[M+Na-2H]- 363.065026 179.1
[M]+ 342.08981142 182.3
[M]- 342.09090858 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.