CID 10609709

306960-67-8

Structural Information

Molecular Formula

C₉H₉F₃N₂O₂

SMILES

CCOC(=O)C1=CN=C(N=C1C)C(F)(F)F

InChI

InChI=1S/C9H9F3N2O2/c1-3-16-7(15)6-4-13-8(9(10,11)12)14-5(6)2/h4H,3H2,1-2H3

InChIKey

LYEKBQSEKSEXLT-UHFFFAOYSA-N

Compound name

ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 234.06161 Da
Monoisotopic Mass: 1.7
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]+	235.06889	146.2
[M+Na]+	257.05083	156.2
[M-H]-	233.05433	143.8
[M+NH4]+	252.09543	161.8
[M+K]+	273.02477	154.0
[M+H-H2O]+	217.05887	136.7
[M+HCOO]-	279.05981	163.0
[M+CH3COO]-	293.07546	190.2
[M+Na-2H]-	255.03628	150.8
[M]+	234.06106	145.2
[M]-	234.06216	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe