CID 101498

2022-78-8

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

7
References

509
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 115.2
[M+Na]+ 137.01216 125.7
[M-H]- 113.01566 114.1
[M+NH4]+ 132.05676 134.7
[M+K]+ 152.98610 123.3
[M+H-H2O]+ 97.020200 108.2
[M+HCOO]- 159.02114 136.6
[M+CH3COO]- 173.03679 163.9
[M+Na-2H]- 134.99761 124.4
[M]+ 114.02239 112.4
[M]- 114.02349 112.4
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