CID 13401971

124668-48-0

Structural Information

Molecular Formula

C₅H₇F₃N₂O

SMILES

C1C(CN1)NC(=O)C(F)(F)F

InChI

InChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-3-1-9-2-3/h3,9H,1-2H2,(H,10,11)

InChIKey

BIRMYAUDHMGEME-UHFFFAOYSA-N

Compound name

N-(azetidin-3-yl)-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 168.05104 Da
Monoisotopic Mass: 0.1
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]+	169.05832	143.7
[M+Na]+	191.04026	145.4
[M+NH4]+	186.08486	144.5
[M+K]+	207.01420	143.7
[M-H]-	167.04376	136.3
[M+Na-2H]-	189.02571	142.5
[M]+	168.05049	140.2
[M]-	168.05159	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe