CID 5271524

[7-fluoro-2-(4-methoxyphenyl)-4-oxo-chroman-3-yl] acetate

Structural Information

Molecular Formula
C18H15FO5
SMILES
CC(=O)OC1C(OC2=C(C1=O)C=CC(=C2)F)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H15FO5/c1-10(20)23-18-16(21)14-8-5-12(19)9-15(14)24-17(18)11-3-6-13(22-2)7-4-11/h3-9,17-18H,1-2H3
InChIKey
RXZNEYIHEBLQIA-UHFFFAOYSA-N
Compound name
[7-fluoro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.09036 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09764 172.6
[M+Na]+ 353.07958 181.4
[M-H]- 329.08308 180.0
[M+NH4]+ 348.12418 186.3
[M+K]+ 369.05352 179.6
[M+H-H2O]+ 313.08762 163.5
[M+HCOO]- 375.08856 190.8
[M+CH3COO]- 389.10421 210.4
[M+Na-2H]- 351.06503 175.3
[M]+ 330.08981 175.6
[M]- 330.09091 175.6
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

No patent data available for this compound.