CID 5400230

3-(4-fluorophenyl)-7-hydroxy-2-methyl-4h-chromen-4-one

Structural Information

Molecular Formula
C16H11FO3
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H11FO3/c1-9-15(10-2-4-11(17)5-3-10)16(19)13-7-6-12(18)8-14(13)20-9/h2-8,18H,1H3
InChIKey
HGKUOYYHCHOYOJ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-7-hydroxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

270.0692 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.076476 157.0
[M+Na]+ 293.058418 168.7
[M-H]- 269.061924 164.2
[M+NH4]+ 288.103023 173.1
[M+K]+ 309.032358 164.8
[M+H-H2O]+ 253.066460 148.9
[M+HCOO]- 315.067401 177.8
[M+CH3COO]- 329.083051 170.4
[M+Na-2H]- 291.043866 163.2
[M]+ 270.06865142 158.9
[M]- 270.06974858 158.9
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