CID 137534

Piperidine, 1-trichloroacetyl-

Structural Information

Molecular Formula

C₇H₁₀Cl₃NO

SMILES

C1CCN(CC1)C(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C7H10Cl3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2

InChIKey

COHUYGSEUCDFQT-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-1-piperidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 11
Patents: 228.9828 Da
Monoisotopic Mass: 2.4
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]+	229.99008	144.9
[M+Na]+	251.97202	151.5
[M-H]-	227.97552	144.6
[M+NH4]+	247.01662	162.4
[M+K]+	267.94596	147.1
[M+H-H2O]+	211.98006	140.8
[M+HCOO]-	273.98100	147.2
[M+CH3COO]-	287.99665	184.4
[M+Na-2H]-	249.95747	148.2
[M]+	228.98225	142.5
[M]-	228.98335	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe