CID 2746304

144456-86-0

Structural Information

Molecular Formula
C10H7F3N2O3
SMILES
CCOC(=O)C1=C(NC(=O)C(=C1)C#N)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O3/c1-2-18-9(17)6-3-5(4-14)8(16)15-7(6)10(11,12)13/h3H,2H2,1H3,(H,15,16)
InChIKey
PRWYPQDZTQIQPV-UHFFFAOYSA-N
Compound name
ethyl 5-cyano-6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

260.04086 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04814 148.5
[M+Na]+ 283.03008 159.4
[M-H]- 259.03358 146.0
[M+NH4]+ 278.07468 161.8
[M+K]+ 299.00402 156.5
[M+H-H2O]+ 243.03812 133.5
[M+HCOO]- 305.03906 162.1
[M+CH3COO]- 319.05471 202.8
[M+Na-2H]- 281.01553 151.1
[M]+ 260.04031 141.3
[M]- 260.04141 141.3
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

patents stripe