CID 321724

5-(4-fluorophenyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C10H8FN3
SMILES
C1=CC(=CC=C1C2=CN=CN=C2N)F
InChI
InChI=1S/C10H8FN3/c11-8-3-1-7(2-4-8)9-5-13-6-14-10(9)12/h1-6H,(H2,12,13,14)
InChIKey
MSKBOHZOGUHTPW-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

189.07022 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.077496 138.0
[M+Na]+ 212.059438 147.6
[M-H]- 188.062944 140.8
[M+NH4]+ 207.104043 154.5
[M+K]+ 228.033378 143.1
[M+H-H2O]+ 172.067480 128.7
[M+HCOO]- 234.068421 160.4
[M+CH3COO]- 248.084071 150.8
[M+Na-2H]- 210.044886 145.7
[M]+ 189.06967142 134.7
[M]- 189.07076858 134.7
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