CID 101497

5-fluoro-4-hydroxypyrimidine

Structural Information

Molecular Formula
C4H3FN2O
SMILES
C1=C(C(=O)NC=N1)F
InChI
InChI=1S/C4H3FN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChIKey
NBAHQCCWEKHGTD-UHFFFAOYSA-N
Compound name
5-fluoro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

206
Patents

114.02294 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03022 117.2
[M+Na]+ 137.01216 130.1
[M+NH4]+ 132.05676 124.5
[M+K]+ 152.98610 124.6
[M-H]- 113.01566 116.2
[M+Na-2H]- 134.99761 124.1
[M]+ 114.02239 118.5
[M]- 114.02349 118.5
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