CID 574613

6-fluoropyrimidin-4-amine

Structural Information

Molecular Formula
C4H4FN3
SMILES
C1=C(N=CN=C1F)N
InChI
InChI=1S/C4H4FN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
InChIKey
PPUIVMHRKBEYCR-UHFFFAOYSA-N
Compound name
6-fluoropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

113.038925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.04620 116.9
[M+Na]+ 136.02814 126.7
[M-H]- 112.03165 116.6
[M+NH4]+ 131.07275 136.6
[M+K]+ 152.00208 124.8
[M+H-H2O]+ 96.036185 109.3
[M+HCOO]- 158.03713 139.8
[M+CH3COO]- 172.05278 169.5
[M+Na-2H]- 134.01359 125.9
[M]+ 113.03838 113.5
[M]- 113.03947 113.5
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

patents stripe