CID 117424

Butanamide, 2,2-dichloro-n,n-diethyl-3-oxo-

Structural Information

Molecular Formula

C₈H₁₃Cl₂NO₂

SMILES

CCN(CC)C(=O)C(C(=O)C)(Cl)Cl

InChI

InChI=1S/C8H13Cl2NO2/c1-4-11(5-2)7(13)8(9,10)6(3)12/h4-5H2,1-3H3

InChIKey

FDPMTHLEABSCPU-UHFFFAOYSA-N

Compound name

2,2-dichloro-N,N-diethyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.03233 Da
Monoisotopic Mass: 1.5
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]+	226.03961	145.5
[M+Na]+	248.02155	153.1
[M-H]-	224.02505	146.9
[M+NH4]+	243.06615	165.5
[M+K]+	263.99549	150.7
[M+H-H2O]+	208.02959	142.7
[M+HCOO]-	270.03053	158.3
[M+CH3COO]-	284.04618	193.4
[M+Na-2H]-	246.00700	148.4
[M]+	225.03178	150.6
[M]-	225.03288	150.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.