CID 5271530

6-fluoro-3-hydroxy-2-(4-methoxyphenyl)chroman-4-one

Structural Information

Molecular Formula
C16H13FO4
SMILES
COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=CC(=C3)F)O
InChI
InChI=1S/C16H13FO4/c1-20-11-5-2-9(3-6-11)16-15(19)14(18)12-8-10(17)4-7-13(12)21-16/h2-8,15-16,19H,1H3
InChIKey
RAXMXRYTUURQHC-UHFFFAOYSA-N
Compound name
6-fluoro-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08705 161.9
[M+Na]+ 311.06899 171.4
[M-H]- 287.07249 168.3
[M+NH4]+ 306.11359 176.9
[M+K]+ 327.04293 168.4
[M+H-H2O]+ 271.07703 153.6
[M+HCOO]- 333.07797 180.0
[M+CH3COO]- 347.09362 200.2
[M+Na-2H]- 309.05444 166.4
[M]+ 288.07922 162.4
[M]- 288.08032 162.4
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.