CID 948702

147381-61-1

Structural Information

Molecular Formula
C14H9F3N2O2
SMILES
COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F
InChI
InChI=1S/C14H9F3N2O2/c1-21-9-4-2-8(3-5-9)12-6-11(14(15,16)17)10(7-18)13(20)19-12/h2-6H,1H3,(H,19,20)
InChIKey
UEJYFUADCJOTEZ-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

294.0616 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06888 162.4
[M+Na]+ 317.05082 174.2
[M-H]- 293.05432 162.2
[M+NH4]+ 312.09542 174.3
[M+K]+ 333.02476 168.2
[M+H-H2O]+ 277.05886 146.0
[M+HCOO]- 339.05980 176.4
[M+CH3COO]- 353.07545 209.5
[M+Na-2H]- 315.03627 165.2
[M]+ 294.06105 154.4
[M]- 294.06215 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.