CID 243210

2,2-dichloro-n-o-tolyl-acetamide

Structural Information

Molecular Formula

C₉H₉Cl₂NO

SMILES

CC1=CC=CC=C1NC(=O)C(Cl)Cl

InChI

InChI=1S/C9H9Cl2NO/c1-6-4-2-3-5-7(6)12-9(13)8(10)11/h2-5,8H,1H3,(H,12,13)

InChIKey

AYWNNBNZROXRBJ-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 217.00612 Da
Monoisotopic Mass: 2.2
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]+	218.01340	142.4
[M+Na]+	239.99534	150.9
[M-H]-	215.99884	145.6
[M+NH4]+	235.03994	162.1
[M+K]+	255.96928	146.2
[M+H-H2O]+	200.00338	138.5
[M+HCOO]-	262.00432	156.9
[M+CH3COO]-	276.01997	188.0
[M+Na-2H]-	237.98079	146.5
[M]+	217.00557	144.6
[M]-	217.00667	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe