CID 58291845

2411294-65-8

Structural Information

Molecular Formula

C₅H₇F₃N₂O

SMILES

C1C(NCC(=O)N1)C(F)(F)F

InChI

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

InChIKey

RDLGOXUGHZUZCG-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	132.5
[M+Na]+	191.04026	139.4
[M-H]-	167.04376	126.3
[M+NH4]+	186.08486	148.7
[M+K]+	207.01420	136.1
[M+H-H2O]+	151.04830	124.0
[M+HCOO]-	213.04924	143.9
[M+CH3COO]-	227.06489	170.7
[M+Na-2H]-	189.02571	136.8
[M]+	168.05049	120.8
[M]-	168.05159	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe