CID 138456

2-chloro-n-hexylacetamide

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

CCCCCCNC(=O)CCl

InChI

InChI=1S/C8H16ClNO/c1-2-3-4-5-6-10-8(11)7-9/h2-7H2,1H3,(H,10,11)

InChIKey

GRCXMYHIISDRMO-UHFFFAOYSA-N

Compound name

2-chloro-N-hexylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 177.09204 Da
Monoisotopic Mass: 2.5
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]+	178.09932	138.7
[M+Na]+	200.08126	148.6
[M+NH4]+	195.12586	146.5
[M+K]+	216.05520	142.0
[M-H]-	176.08476	138.5
[M+Na-2H]-	198.06671	142.2
[M]+	177.09149	140.1
[M]-	177.09259	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe