CID 45120100

898758-70-8

Structural Information

Molecular Formula

C₅H₂F₃NO₂

SMILES

C1=COC(=N1)C(=O)C(F)(F)F

InChI

InChI=1S/C5H2F3NO2/c6-5(7,8)3(10)4-9-1-2-11-4/h1-2H

InChIKey

QBFGILBGPGOSDO-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 165.00377 Da
Monoisotopic Mass: 1.5
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]+	166.01105	124.1
[M+Na]+	187.99299	133.8
[M-H]-	163.99649	123.7
[M+NH4]+	183.03759	143.7
[M+K]+	203.96693	134.0
[M+H-H2O]+	148.00103	116.4
[M+HCOO]-	210.00197	143.5
[M+CH3COO]-	224.01762	173.8
[M+Na-2H]-	185.97844	130.9
[M]+	165.00322	121.8
[M]-	165.00432	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe