CID 295247

2,3'-dichloro-4'-methylbenzanilide

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Cl)Cl

InChI

InChI=1S/C14H11Cl2NO/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15/h2-8H,1H3,(H,17,18)

InChIKey

OCJWUINPGKPIAN-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-chloro-4-methylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.02176 Da
Monoisotopic Mass: 4.4
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]+	280.029036	159.0
[M+Na]+	302.010978	168.9
[M-H]-	278.014484	165.5
[M+NH4]+	297.055583	176.4
[M+K]+	317.984918	162.2
[M+H-H2O]+	262.019020	153.5
[M+HCOO]-	324.019961	174.2
[M+CH3COO]-	338.035611	199.9
[M+Na-2H]-	299.996426	162.8
[M]+	279.02121142	162.2
[M]-	279.02230858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.