CID 25218958

2-chloro-n-(5-chloro-2-methylphenyl)propanamide

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)Cl

InChI

InChI=1S/C10H11Cl2NO/c1-6-3-4-8(12)5-9(6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)

InChIKey

HDAWNZAPFXTOIJ-UHFFFAOYSA-N

Compound name

2-chloro-N-(5-chloro-2-methylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.02177 Da
Monoisotopic Mass: 2.9
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]+	232.029046	146.5
[M+Na]+	254.010988	155.6
[M-H]-	230.014494	149.9
[M+NH4]+	249.055593	165.9
[M+K]+	269.984928	150.7
[M+H-H2O]+	214.019030	142.7
[M+HCOO]-	276.019971	160.7
[M+CH3COO]-	290.035621	192.1
[M+Na-2H]-	251.996436	149.4
[M]+	231.02122142	149.4
[M]-	231.02231858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe