CID 595317

Karsil

Structural Information

Molecular Formula

C₁₂H₁₅Cl₂NO

SMILES

CCCC(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H15Cl2NO/c1-3-4-8(2)12(16)15-9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)

InChIKey

VUNCGGHZBFQRPB-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)-2-methylpentanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2843
References: 662
Patents: 259.05307 Da
Monoisotopic Mass: 4.7
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]+	260.06035	156.0
[M+Na]+	282.04229	169.1
[M+NH4]+	277.08689	164.4
[M+K]+	298.01623	161.5
[M-H]-	258.04579	158.3
[M+Na-2H]-	280.02774	162.0
[M]+	259.05252	159.1
[M]-	259.05362	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe