CID 595915

2-amino-4-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula

C₅H₄F₃N₃

SMILES

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

InChI

InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)

InChIKey

NKOTXYPTXKUCDL-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1337
Patents: 163.03574 Da
Monoisotopic Mass: 0.8
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]+	164.04302	130.3
[M+Na]+	186.02496	139.4
[M+NH4]+	181.06956	135.6
[M+K]+	201.99890	135.3
[M-H]-	162.02846	126.8
[M+Na-2H]-	184.01041	135.3
[M]+	163.03519	130.2
[M]-	163.03629	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe