CID 7172020

Trifluoroacetylpiperazine

Structural Information

Molecular Formula

C₆H₉F₃N₂O

SMILES

C1CN(CCN1)C(=O)C(F)(F)F

InChI

InChI=1S/C6H9F3N2O/c7-6(8,9)5(12)11-3-1-10-2-4-11/h10H,1-4H2

InChIKey

VCMQRVDQQAMQTJ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 550
Patents: 182.0667 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]+	183.07398	136.3
[M+Na]+	205.05592	142.2
[M-H]-	181.05942	131.1
[M+NH4]+	200.10052	152.4
[M+K]+	221.02986	140.1
[M+H-H2O]+	165.06396	127.3
[M+HCOO]-	227.06490	148.0
[M+CH3COO]-	241.08055	175.3
[M+Na-2H]-	203.04137	140.2
[M]+	182.06615	125.8
[M]-	182.06725	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe