CID 296059

2-chloro-n-dodecylacetamide

Structural Information

Molecular Formula

C₁₄H₂₈ClNO

SMILES

CCCCCCCCCCCCNC(=O)CCl

InChI

InChI=1S/C14H28ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(17)13-15/h2-13H2,1H3,(H,16,17)

InChIKey

IQNKUQDXFKGYSX-UHFFFAOYSA-N

Compound name

2-chloro-N-dodecylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 261.18594 Da
Monoisotopic Mass: 5.7
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]+	262.19322	165.5
[M+Na]+	284.17516	174.2
[M+NH4]+	279.21976	172.3
[M+K]+	300.14910	166.1
[M-H]-	260.17866	165.1
[M+Na-2H]-	282.16061	167.4
[M]+	261.18539	166.6
[M]-	261.18649	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe