CID 2740870

38045-00-0

Structural Information

Molecular Formula

C₁₂H₁₄Cl₂N₂O

SMILES

C1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H14Cl2N2O/c13-9-4-5-11(10(14)8-9)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)

InChIKey

VZFQGGJYKIUZOI-UHFFFAOYSA-N

Compound name

N-(2,4-dichlorophenyl)piperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 272.0483 Da
Monoisotopic Mass: 3.0
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]+	273.055576	158.9
[M+Na]+	295.037518	165.5
[M-H]-	271.041024	162.7
[M+NH4]+	290.082123	174.7
[M+K]+	311.011458	159.9
[M+H-H2O]+	255.045560	152.2
[M+HCOO]-	317.046501	169.1
[M+CH3COO]-	331.062151	195.8
[M+Na-2H]-	293.022966	161.5
[M]+	272.04775142	156.9
[M]-	272.04884858	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.