CID 17750126

2-(trifluoromethyl)pyrimidine-4-carboxamide

Structural Information

Molecular Formula

C₆H₄F₃N₃O

SMILES

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

InChI

InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-2-1-3(12-5)4(10)13/h1-2H,(H2,10,13)

InChIKey

LBNILUATVOCQRF-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)pyrimidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 191.03064 Da
Monoisotopic Mass: 0.3
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]+	192.03792	137.0
[M+Na]+	214.01986	145.1
[M+NH4]+	209.06446	141.2
[M+K]+	229.99380	142.0
[M-H]-	190.02336	132.6
[M+Na-2H]-	212.00531	140.8
[M]+	191.03009	136.4
[M]-	191.03119	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe