CID 3414974

303105-16-0

Structural Information

Molecular Formula

C₁₂H₁₅Cl₃N₂O₂

SMILES

C1CCN(CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2

InChI

InChI=1S/C12H15Cl3N2O2/c13-12(14,15)11(17-6-2-1-3-7-17)16-10(18)9-5-4-8-19-9/h4-5,8,11H,1-3,6-7H2,(H,16,18)

InChIKey

AKTIPKNJZLNYPM-UHFFFAOYSA-N

Compound name

N-(2,2,2-trichloro-1-piperidin-1-ylethyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.0199 Da
Monoisotopic Mass: 3.5
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]+	325.027176	172.6
[M+Na]+	347.009118	177.2
[M-H]-	323.012624	175.7
[M+NH4]+	342.053723	186.1
[M+K]+	362.983058	173.1
[M+H-H2O]+	307.017160	166.4
[M+HCOO]-	369.018101	174.7
[M+CH3COO]-	383.033751	201.7
[M+Na-2H]-	344.994566	173.3
[M]+	324.01935142	171.5
[M]-	324.02044858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.