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 164.7
[M+Na]+ 337.02648 176.0
[M-H]- 313.02998 167.4
[M+NH4]+ 332.07108 176.5
[M+K]+ 353.00042 170.7
[M+H-H2O]+ 297.03452 155.9
[M+HCOO]- 359.03546 179.4
[M+CH3COO]- 373.05111 198.1
[M+Na-2H]- 335.01193 168.0
[M]+ 314.03671 168.5
[M]- 314.03781 168.5
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

No patent data available for this compound.