CID 513254

Schembl754619

Structural Information

Molecular Formula
C17H12FNO4
SMILES
C1=CC(=CC=C1CC2=CC=C(O2)C(=O)C3=C(C(=O)C=CN3)O)F
InChI
InChI=1S/C17H12FNO4/c18-11-3-1-10(2-4-11)9-12-5-6-14(23-12)17(22)15-16(21)13(20)7-8-19-15/h1-8,21H,9H2,(H,19,20)
InChIKey
XPJDPZIBOTZORY-UHFFFAOYSA-N
Compound name
2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

313.07504 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08232 168.1
[M+Na]+ 336.06426 177.4
[M-H]- 312.06776 174.5
[M+NH4]+ 331.10886 180.2
[M+K]+ 352.03820 172.8
[M+H-H2O]+ 296.07230 159.2
[M+HCOO]- 358.07324 187.4
[M+CH3COO]- 372.08889 199.9
[M+Na-2H]- 334.04971 169.5
[M]+ 313.07449 168.2
[M]- 313.07559 168.2
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.