CID 258029

3'-chloro-n-methylacetanilide

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

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

InChI

InChI=1S/C9H10ClNO/c1-7(12)11(2)9-5-3-4-8(10)6-9/h3-6H,1-2H3

InChIKey

WUOSYUHCXLQPQJ-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1908
Patents: 183.04509 Da
Monoisotopic Mass: 1.7
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]+	184.05237	136.0
[M+Na]+	206.03431	144.5
[M-H]-	182.03781	141.3
[M+NH4]+	201.07891	157.3
[M+K]+	222.00825	142.3
[M+H-H2O]+	166.04235	131.0
[M+HCOO]-	228.04329	157.0
[M+CH3COO]-	242.05894	185.9
[M+Na-2H]-	204.01976	141.4
[M]+	183.04454	138.9
[M]-	183.04564	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe