CID 25323216

2-chloro-n-[(3,4-dichlorophenyl)methyl]-n-methylacetamide

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃NO

SMILES

CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)CCl

InChI

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

InChIKey

JTEJWTRZRUWVFT-UHFFFAOYSA-N

Compound name

2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.9828 Da
Monoisotopic Mass: 3.1
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	152.6
[M+Na]+	287.972018	161.8
[M-H]-	263.975524	156.0
[M+NH4]+	283.016623	171.1
[M+K]+	303.945958	156.8
[M+H-H2O]+	247.980060	149.0
[M+HCOO]-	309.981001	162.6
[M+CH3COO]-	323.996651	199.7
[M+Na-2H]-	285.957466	154.8
[M]+	264.98225142	157.3
[M]-	264.98334858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.