CID 376600

Nsc657611

Structural Information

Molecular Formula
C8H9FN2O3
SMILES
C=CCOCN1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C8H9FN2O3/c1-2-3-14-5-11-4-6(9)7(12)10-8(11)13/h2,4H,1,3,5H2,(H,10,12,13)
InChIKey
IGVGWTRNVDKCHA-UHFFFAOYSA-N
Compound name
5-fluoro-1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.05972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06700 136.8
[M+Na]+ 223.04894 147.7
[M-H]- 199.05244 135.8
[M+NH4]+ 218.09354 153.1
[M+K]+ 239.02288 144.1
[M+H-H2O]+ 183.05698 129.1
[M+HCOO]- 245.05792 157.6
[M+CH3COO]- 259.07357 181.0
[M+Na-2H]- 221.03439 142.3
[M]+ 200.05917 137.7
[M]- 200.06027 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.