CID 3316160

2-chloro-n-[1-(2,4-dichlorophenyl)ethyl]acetamide

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃NO

SMILES

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

InChI

InChI=1S/C10H10Cl3NO/c1-6(14-10(15)5-11)8-3-2-7(12)4-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)

InChIKey

CPEIIDYZXPPDDE-UHFFFAOYSA-N

Compound name

2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 264.9828 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]+	265.990076	152.5
[M+Na]+	287.972018	161.4
[M-H]-	263.975524	154.6
[M+NH4]+	283.016623	170.4
[M+K]+	303.945958	155.6
[M+H-H2O]+	247.980060	149.4
[M+HCOO]-	309.981001	161.2
[M+CH3COO]-	323.996651	197.3
[M+Na-2H]-	285.957466	154.4
[M]+	264.98225142	155.5
[M]-	264.98334858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe