CID 247440

6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H5F3N2O
SMILES
CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F
InChI
InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,1H3,(H,13,14)
InChIKey
IMPQPQKUDMOZHV-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

154
Patents

202.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04268 135.2
[M+Na]+ 225.02462 147.1
[M-H]- 201.02812 133.0
[M+NH4]+ 220.06922 150.9
[M+K]+ 240.99856 143.6
[M+H-H2O]+ 185.03266 120.9
[M+HCOO]- 247.03360 149.8
[M+CH3COO]- 261.04925 194.3
[M+Na-2H]- 223.01007 139.8
[M]+ 202.03485 126.1
[M]- 202.03595 126.1
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.