CID 504020

Schembl18740497

Structural Information

Molecular Formula

C₁₀H₁₁FN₂O₂

SMILES

C1C(C(=O)N(O1)CC2=CC=C(C=C2)F)N

InChI

InChI=1S/C10H11FN2O2/c11-8-3-1-7(2-4-8)5-13-10(14)9(12)6-15-13/h1-4,9H,5-6,12H2

InChIKey

PGXHBINJZDOSIH-UHFFFAOYSA-N

Compound name

4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 210.08046 Da
Monoisotopic Mass: 0.3
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]+	211.08774	143.0
[M+Na]+	233.06968	151.5
[M-H]-	209.07318	147.7
[M+NH4]+	228.11428	160.6
[M+K]+	249.04362	149.5
[M+H-H2O]+	193.07772	135.1
[M+HCOO]-	255.07866	164.4
[M+CH3COO]-	269.09431	186.8
[M+Na-2H]-	231.05513	146.2
[M]+	210.07991	140.3
[M]-	210.08101	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe