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: 33
Patents: 260.04086 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.048136	148.5
[M+Na]+	283.030078	159.4
[M-H]-	259.033584	146.0
[M+NH4]+	278.074683	161.8
[M+K]+	299.004018	156.5
[M+H-H2O]+	243.038120	133.5
[M+HCOO]-	305.039061	162.1
[M+CH3COO]-	319.054711	202.8
[M+Na-2H]-	281.015526	151.1
[M]+	260.04031142	141.3
[M]-	260.04140858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe