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

1465
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 127.6
[M+Na]+ 186.02496 137.5
[M-H]- 162.02846 124.8
[M+NH4]+ 181.06956 145.3
[M+K]+ 201.99890 134.9
[M+H-H2O]+ 146.03300 118.4
[M+HCOO]- 208.03394 146.4
[M+CH3COO]- 222.04959 177.8
[M+Na-2H]- 184.01041 135.4
[M]+ 163.03519 121.6
[M]- 163.03629 121.6
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