CID 489887

69849-33-8

Structural Information

Molecular Formula
C7H5FN2O2
SMILES
C#CCN1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C7H5FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h1,4H,3H2,(H,9,11,12)
InChIKey
GMCOGJQJFDQZCP-UHFFFAOYSA-N
Compound name
5-fluoro-1-prop-2-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

168.03351 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.040786 127.0
[M+Na]+ 191.022728 139.5
[M-H]- 167.026234 124.5
[M+NH4]+ 186.067333 142.3
[M+K]+ 206.996668 135.5
[M+H-H2O]+ 151.030770 113.5
[M+HCOO]- 213.031711 142.0
[M+CH3COO]- 227.047361 183.8
[M+Na-2H]- 189.008176 132.0
[M]+ 168.03296142 120.5
[M]- 168.03405858 120.5
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