CID 2079404

N-{[(4-bromo-2-methylphenyl)carbamoyl]methyl}-2-chloroacetamide

Structural Information

Molecular Formula

C₁₁H₁₂BrClN₂O₂

SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCl

InChI

InChI=1S/C11H12BrClN2O2/c1-7-4-8(12)2-3-9(7)15-11(17)6-14-10(16)5-13/h2-4H,5-6H2,1H3,(H,14,16)(H,15,17)

InChIKey

APRUFSPQGDJZOF-UHFFFAOYSA-N

Compound name

N-(4-bromo-2-methylphenyl)-2-[(2-chloroacetyl)amino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.97708 Da
Monoisotopic Mass: 2.0
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]+	318.984356	160.6
[M+Na]+	340.966298	171.1
[M-H]-	316.969804	166.6
[M+NH4]+	336.010903	179.1
[M+K]+	356.940238	157.7
[M+H-H2O]+	300.974340	159.7
[M+HCOO]-	362.975281	178.2
[M+CH3COO]-	376.990931	205.0
[M+Na-2H]-	338.951746	164.9
[M]+	317.97653142	180.7
[M]-	317.97762858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.