CID 4962345

2-chloro-n-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}acetamide

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O₂

SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)CCl

InChI

InChI=1S/C11H12Cl2N2O2/c1-7-8(13)3-2-4-9(7)15-11(17)6-14-10(16)5-12/h2-4H,5-6H2,1H3,(H,14,16)(H,15,17)

InChIKey

RTOOBADLSRNLPO-UHFFFAOYSA-N

Compound name

2-[(2-chloroacetyl)amino]-N-(3-chloro-2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.0276 Da
Monoisotopic Mass: 1.8
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]+	275.034876	158.5
[M+Na]+	297.016818	166.5
[M-H]-	273.020324	161.7
[M+NH4]+	292.061423	175.7
[M+K]+	312.990758	161.3
[M+H-H2O]+	257.024860	154.0
[M+HCOO]-	319.025801	173.8
[M+CH3COO]-	333.041451	200.5
[M+Na-2H]-	295.002266	161.0
[M]+	274.02705142	161.7
[M]-	274.02814858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.