CID 603741

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

Structural Information

Molecular Formula
C12H11FN2O5S
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C12H11FN2O5S/c1-2-20-8-3-5-9(6-4-8)21(18,19)15-7-10(13)11(16)14-12(15)17/h3-7H,2H2,1H3,(H,14,16,17)
InChIKey
JYXNKDQEQDBBMR-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

314.03726 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04454 168.2
[M+Na]+ 337.02648 180.5
[M+NH4]+ 332.07108 172.2
[M+K]+ 353.00042 174.3
[M-H]- 313.02998 166.8
[M+Na-2H]- 335.01193 173.3
[M]+ 314.03671 169.7
[M]- 314.03781 169.7
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

No patent data available for this compound.