CID 67246561

2171720-85-5

Structural Information

Molecular Formula

C₅H₇F₃N₂O₂

SMILES

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

InChI

InChI=1S/C5H7F3N2O2/c6-5(7,8)2-10-4(11)3(9)1-12-10/h3H,1-2,9H2

InChIKey

NZUGGTIAEZIRAB-UHFFFAOYSA-N

Compound name

4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 184.04596 Da
Monoisotopic Mass: -0.2
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]+	185.05324	132.2
[M+Na]+	207.03518	140.9
[M-H]-	183.03868	131.0
[M+NH4]+	202.07978	150.8
[M+K]+	223.00912	140.5
[M+H-H2O]+	167.04322	124.4
[M+HCOO]-	229.04416	149.9
[M+CH3COO]-	243.05981	180.3
[M+Na-2H]-	205.02063	136.1
[M]+	184.04541	126.5
[M]-	184.04651	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe