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: 31
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]+	178.099316	140.6
[M+Na]+	200.081258	147.0
[M-H]-	176.084764	140.4
[M+NH4]+	195.125863	161.4
[M+K]+	216.055198	144.3
[M+H-H2O]+	160.089300	136.3
[M+HCOO]-	222.090241	159.6
[M+CH3COO]-	236.105891	183.1
[M+Na-2H]-	198.066706	145.0
[M]+	177.09149142	143.6
[M]-	177.09258858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe