CID 81935584

5-(5-fluoropyridin-3-yl)pyrimidin-2-amine

Structural Information

Molecular Formula
C9H7FN4
SMILES
C1=C(C=NC=C1F)C2=CN=C(N=C2)N
InChI
InChI=1S/C9H7FN4/c10-8-1-6(2-12-5-8)7-3-13-9(11)14-4-7/h1-5H,(H2,11,13,14)
InChIKey
ZIVQFAOYFKIQEM-UHFFFAOYSA-N
Compound name
5-(5-fluoropyridin-3-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06548 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07276 138.5
[M+Na]+ 213.05470 148.6
[M-H]- 189.05820 140.1
[M+NH4]+ 208.09930 153.6
[M+K]+ 229.02864 144.1
[M+H-H2O]+ 173.06274 128.6
[M+HCOO]- 235.06368 159.9
[M+CH3COO]- 249.07933 151.0
[M+Na-2H]- 211.04015 146.9
[M]+ 190.06493 135.4
[M]- 190.06603 135.4
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.