CID 826377

Uracil, 5-fluoro-n-((p-methoxyphenyl)sulfonyl)-

Structural Information

Molecular Formula
C11H9FN2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C11H9FN2O5S/c1-19-7-2-4-8(5-3-7)20(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)
InChIKey
CDZDGDFZYYUMGA-UHFFFAOYSA-N
Compound name
5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0216 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.02888 160.3
[M+Na]+ 323.01082 172.1
[M-H]- 299.01432 163.2
[M+NH4]+ 318.05542 172.7
[M+K]+ 338.98476 167.0
[M+H-H2O]+ 283.01886 151.8
[M+HCOO]- 345.01980 175.3
[M+CH3COO]- 359.03545 195.1
[M+Na-2H]- 320.99627 164.1
[M]+ 300.02105 163.8
[M]- 300.02215 163.8
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.