CID 3073319

148190-22-1

Structural Information

Molecular Formula
C14H8FNO2
SMILES
C1=CC2=C(C(=O)C=C(O2)C3=CC=C(C=C3)F)N=C1
InChI
InChI=1S/C14H8FNO2/c15-10-5-3-9(4-6-10)13-8-11(17)14-12(18-13)2-1-7-16-14/h1-8H
InChIKey
DKQPBZKDZUUAEG-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)pyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05391 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06119 149.0
[M+Na]+ 264.04313 160.4
[M-H]- 240.04663 155.5
[M+NH4]+ 259.08773 165.0
[M+K]+ 280.01707 156.6
[M+H-H2O]+ 224.05117 139.8
[M+HCOO]- 286.05211 170.4
[M+CH3COO]- 300.06776 162.5
[M+Na-2H]- 262.02858 158.1
[M]+ 241.05336 150.2
[M]- 241.05446 150.2
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.