CID 3073323

4h-pyrano(3,2-b)pyridin-4-one, 2-(4-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C15H8F3NO2
SMILES
C1=CC2=C(C(=O)C=C(O2)C3=CC=C(C=C3)C(F)(F)F)N=C1
InChI
InChI=1S/C15H8F3NO2/c16-15(17,18)10-5-3-9(4-6-10)13-8-11(20)14-12(21-13)2-1-7-19-14/h1-8H
InChIKey
QOYRQJIZBDZLJV-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]pyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.05072 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05800 165.1
[M+Na]+ 314.03994 178.5
[M+NH4]+ 309.08454 171.1
[M+K]+ 330.01388 171.7
[M-H]- 290.04344 165.9
[M+Na-2H]- 312.02539 171.8
[M]+ 291.05017 167.3
[M]- 291.05127 167.3
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.