CID 43142266

2-(3-fluorophenyl)pyrimidin-5-amine

Structural Information

Molecular Formula
C10H8FN3
SMILES
C1=CC(=CC(=C1)F)C2=NC=C(C=N2)N
InChI
InChI=1S/C10H8FN3/c11-8-3-1-2-7(4-8)10-13-5-9(12)6-14-10/h1-6H,12H2
InChIKey
AIHATZXQZIYIPB-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.07022 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.