CID 72359

77474-50-1

Structural Information

Molecular Formula
C7H9FN2O4
SMILES
C1=C(C(=O)NC(=O)N1COCCO)F
InChI
InChI=1S/C7H9FN2O4/c8-5-3-10(4-14-2-1-11)7(13)9-6(5)12/h3,11H,1-2,4H2,(H,9,12,13)
InChIKey
NIXARNBYNBFWPR-UHFFFAOYSA-N
Compound name
5-fluoro-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

29
Patents

204.05464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06192 137.1
[M+Na]+ 227.04386 147.6
[M-H]- 203.04736 134.8
[M+NH4]+ 222.08846 152.5
[M+K]+ 243.01780 144.5
[M+H-H2O]+ 187.05190 129.5
[M+HCOO]- 249.05284 156.8
[M+CH3COO]- 263.06849 178.5
[M+Na-2H]- 225.02931 142.6
[M]+ 204.05409 137.9
[M]- 204.05519 137.9
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