CID 3015486

3,5-dichloro-n-(2-methyl-3-oxobutan-2-yl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₃Cl₂NO₂

SMILES

CC(=O)C(C)(C)NC(=O)C1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO2/c1-7(16)12(2,3)15-11(17)8-4-9(13)6-10(14)5-8/h4-6H,1-3H3,(H,15,17)

InChIKey

IOSJQUCGMMIFFY-UHFFFAOYSA-N

Compound name

3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 0
Patents: 273.03235 Da
Monoisotopic Mass: 2.8
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]+	274.039626	156.7
[M+Na]+	296.021568	165.6
[M-H]-	272.025074	160.3
[M+NH4]+	291.066173	174.5
[M+K]+	311.995508	160.7
[M+H-H2O]+	256.029610	153.0
[M+HCOO]-	318.030551	169.2
[M+CH3COO]-	332.046201	199.4
[M+Na-2H]-	294.007016	159.5
[M]+	273.03180142	160.7
[M]-	273.03289858	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.