CID 3478696

5-fluoropyrimidin-4-amine

Structural Information

Molecular Formula
C4H4FN3
SMILES
C1=C(C(=NC=N1)N)F
InChI
InChI=1S/C4H4FN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChIKey
PKZMNMQCFNJXEH-UHFFFAOYSA-N
Compound name
5-fluoropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

113.038925 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe