CID 43132162

2-chloro-n-[1-(naphthalen-1-yl)ethyl]propanamide

Structural Information

Molecular Formula

C₁₅H₁₆ClNO

SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(C)Cl

InChI

InChI=1S/C15H16ClNO/c1-10(16)15(18)17-11(2)13-9-5-7-12-6-3-4-8-14(12)13/h3-11H,1-2H3,(H,17,18)

InChIKey

KWYHBUOQIJXTJV-UHFFFAOYSA-N

Compound name

2-chloro-N-(1-naphthalen-1-ylethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.09204 Da
Monoisotopic Mass: 3.7
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]+	262.099316	158.6
[M+Na]+	284.081258	165.3
[M-H]-	260.084764	162.7
[M+NH4]+	279.125863	176.9
[M+K]+	300.055198	160.6
[M+H-H2O]+	244.089300	152.9
[M+HCOO]-	306.090241	175.0
[M+CH3COO]-	320.105891	199.6
[M+Na-2H]-	282.066706	162.4
[M]+	261.09149142	160.2
[M]-	261.09258858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.