CID 2404879

379255-40-0

Structural Information

Molecular Formula

C₉H₈Cl₃NO

SMILES

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

InChI

InChI=1S/C9H8Cl3NO/c1-5-2-3-6(11)9(8(5)12)13-7(14)4-10/h2-3H,4H2,1H3,(H,13,14)

InChIKey

VLXYASFDMTYSIL-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,6-dichloro-3-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 250.96715 Da
Monoisotopic Mass: 3.3
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]+	251.974426	148.4
[M+Na]+	273.956368	158.7
[M-H]-	249.959874	150.8
[M+NH4]+	269.000973	167.1
[M+K]+	289.930308	152.8
[M+H-H2O]+	233.964410	145.5
[M+HCOO]-	295.965351	158.2
[M+CH3COO]-	309.981001	194.7
[M+Na-2H]-	271.941816	151.1
[M]+	250.96660142	151.8
[M]-	250.96769858	151.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.