CID 14043509

1,2-dihydro-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C7H3F3N2O
SMILES
C1=C(C(=O)NC(=C1)C(F)(F)F)C#N
InChI
InChI=1S/C7H3F3N2O/c8-7(9,10)5-2-1-4(3-11)6(13)12-5/h1-2H,(H,12,13)
InChIKey
DSSUGBUBVKFSPP-UHFFFAOYSA-N
Compound name
2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

188.01974 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02702 131.5
[M+Na]+ 211.00896 143.0
[M-H]- 187.01246 129.1
[M+NH4]+ 206.05356 147.4
[M+K]+ 226.98290 139.6
[M+H-H2O]+ 171.01700 117.1
[M+HCOO]- 233.01794 146.4
[M+CH3COO]- 247.03359 190.5
[M+Na-2H]- 208.99441 137.2
[M]+ 188.01919 121.8
[M]- 188.02029 121.8
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

patents stripe