CID 3017751

Butanamide, 2-chloro-3-oxo-

Structural Information

Molecular Formula

C₄H₆ClNO₂

SMILES

CC(=O)C(C(=O)N)Cl

InChI

InChI=1S/C4H6ClNO2/c1-2(7)3(5)4(6)8/h3H,1H3,(H2,6,8)

InChIKey

AOOLFYMBFIGYDE-UHFFFAOYSA-N

Compound name

2-chloro-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 98
Patents: 135.00871 Da
Monoisotopic Mass: -0.3
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]+	136.015986	123.4
[M+Na]+	157.997928	131.3
[M-H]-	134.001434	123.7
[M+NH4]+	153.042533	145.4
[M+K]+	173.971868	130.0
[M+H-H2O]+	118.005970	120.1
[M+HCOO]-	180.006911	141.8
[M+CH3COO]-	194.022561	173.8
[M+Na-2H]-	155.983376	126.6
[M]+	135.00816142	123.5
[M]-	135.00925858	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe