CID 544636

4-(trifluoroacetyl)morpholine

Structural Information

Molecular Formula

C₆H₈F₃NO₂

SMILES

C1COCCN1C(=O)C(F)(F)F

InChI

InChI=1S/C6H8F3NO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2

InChIKey

UTPCRKXZUFAUIB-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 109
Patents: 183.05072 Da
Monoisotopic Mass: 0.5
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]+	184.05800	133.7
[M+Na]+	206.03994	140.1
[M-H]-	182.04344	132.0
[M+NH4]+	201.08454	150.6
[M+K]+	222.01388	140.4
[M+H-H2O]+	166.04798	125.2
[M+HCOO]-	228.04892	147.6
[M+CH3COO]-	242.06457	177.2
[M+Na-2H]-	204.02539	139.2
[M]+	183.05017	126.6
[M]-	183.05127	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe