CID 244056

2-(trifluoromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C5H4F3N3
SMILES
C1=CN=C(N=C1N)C(F)(F)F
InChI
InChI=1S/C5H4F3N3/c6-5(7,8)4-10-2-1-3(9)11-4/h1-2H,(H2,9,10,11)
InChIKey
XJHPDOAHPIXTPH-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

129
Patents

163.03574 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe