CID 14907381

Fluoruracil

Structural Information

Molecular Formula

C₄H₃FN₂O₂

SMILES

C1=CN(C(=O)NC1=O)F

InChI

InChI=1S/C4H3FN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)

InChIKey

SNKDCTFPQUHAPR-UHFFFAOYSA-N

Compound name

1-fluoropyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 46902
References: 20871
Patents: 130.01785 Da
Monoisotopic Mass: -0.4
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]+	131.02513	117.1
[M+Na]+	153.00707	128.8
[M-H]-	129.01057	116.5
[M+NH4]+	148.05167	136.2
[M+K]+	168.98101	126.2
[M+H-H2O]+	113.01511	110.2
[M+HCOO]-	175.01605	139.0
[M+CH3COO]-	189.03170	166.3
[M+Na-2H]-	150.99252	125.5
[M]+	130.01730	115.5
[M]-	130.01840	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe