CID 452075

5-fl-heiu

Structural Information

Molecular Formula

C₇H₈FIN₂O₄

SMILES

C(COCN1C(=C(C(=O)NC1=O)F)I)O

InChI

InChI=1S/C7H8FIN2O4/c8-4-5(9)11(3-15-2-1-12)7(14)10-6(4)13/h12H,1-3H2,(H,10,13,14)

InChIKey

JXSOXSXDGTWMSM-UHFFFAOYSA-N

Compound name

5-fluoro-1-(2-hydroxyethoxymethyl)-6-iodopyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 329.9513 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.95858	150.3
[M+Na]+	352.94052	154.0
[M-H]-	328.94402	141.6
[M+NH4]+	347.98512	160.5
[M+K]+	368.91446	156.6
[M+H-H2O]+	312.94856	139.2
[M+HCOO]-	374.94950	164.7
[M+CH3COO]-	388.96515	191.1
[M+Na-2H]-	350.92597	142.6
[M]+	329.95075	148.9
[M]-	329.95185	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.