CID 135744231

143329-00-4

Structural Information

Molecular Formula

C₁₃H₁₁FN₂O₃

SMILES

CCOC(=O)C1=C(C(=O)NC(=N1)C2=CC=CC=C2)F

InChI

InChI=1S/C13H11FN2O3/c1-2-19-13(18)10-9(14)12(17)16-11(15-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,15,16,17)

InChIKey

WTIXZUKEKNWPLM-UHFFFAOYSA-N

Compound name

ethyl 5-fluoro-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.07538 Da
Monoisotopic Mass: 1.7
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]+	263.082656	155.5
[M+Na]+	285.064598	165.1
[M-H]-	261.068104	157.5
[M+NH4]+	280.109203	168.8
[M+K]+	301.038538	160.6
[M+H-H2O]+	245.072640	146.0
[M+HCOO]-	307.073581	174.9
[M+CH3COO]-	321.089231	192.8
[M+Na-2H]-	283.050046	159.7
[M]+	262.07483142	155.6
[M]-	262.07592858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe