CID 88376

2,2-dichloro-n-methyl-3-oxobutanamide

Structural Information

Molecular Formula

C₅H₇Cl₂NO₂

SMILES

CC(=O)C(C(=O)NC)(Cl)Cl

InChI

InChI=1S/C5H7Cl2NO2/c1-3(9)5(6,7)4(10)8-2/h1-2H3,(H,8,10)

InChIKey

FUSJRPBAYJMLEA-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-methyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 16
Patents: 182.98538 Da
Monoisotopic Mass: 0.6
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]+	183.992656	132.9
[M+Na]+	205.974598	141.4
[M-H]-	181.978104	133.2
[M+NH4]+	201.019203	153.8
[M+K]+	221.948538	138.4
[M+H-H2O]+	165.982640	130.8
[M+HCOO]-	227.983581	146.0
[M+CH3COO]-	241.999231	181.0
[M+Na-2H]-	203.960046	137.8
[M]+	182.98483142	135.3
[M]-	182.98592858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe