CID 2736731

175277-60-8

Structural Information

Molecular Formula
C9H7F3N2O
SMILES
C1=CN(C(=O)C(=C1)C(F)(F)F)CCC#N
InChI
InChI=1S/C9H7F3N2O/c10-9(11,12)7-3-1-5-14(8(7)15)6-2-4-13/h1,3,5H,2,6H2
InChIKey
CQBBWSPMEJVWQE-UHFFFAOYSA-N
Compound name
3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05104 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05832 149.1
[M+Na]+ 239.04026 159.2
[M+NH4]+ 234.08486 151.0
[M+K]+ 255.01420 150.3
[M-H]- 215.04376 138.5
[M+Na-2H]- 237.02571 150.7
[M]+ 216.05049 146.6
[M]- 216.05159 146.6
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.