CID 206240

43198-90-9

Structural Information

Molecular Formula

C₁₃H₁₂FNO₃

SMILES

C#CCOCC1CN(C(=O)O1)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H12FNO3/c1-2-7-17-9-12-8-15(13(16)18-12)11-5-3-10(14)4-6-11/h1,3-6,12H,7-9H2

InChIKey

UPHPAXUKABDZGH-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.08012 Da
Monoisotopic Mass: 1.6
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]+	250.087396	148.0
[M+Na]+	272.069338	158.6
[M-H]-	248.072844	150.2
[M+NH4]+	267.113943	162.3
[M+K]+	288.043278	154.4
[M+H-H2O]+	232.077380	133.7
[M+HCOO]-	294.078321	162.7
[M+CH3COO]-	308.093971	199.0
[M+Na-2H]-	270.054786	149.8
[M]+	249.07957142	143.1
[M]-	249.08066858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.