CID 4168596

2-bromo-n-(2-chlorophenyl)-3-methylbutanamide

Structural Information

Molecular Formula

C₁₁H₁₃BrClNO

SMILES

CC(C)C(C(=O)NC1=CC=CC=C1Cl)Br

InChI

InChI=1S/C11H13BrClNO/c1-7(2)10(12)11(15)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15)

InChIKey

TUPIKAJNTKNZCO-UHFFFAOYSA-N

Compound name

2-bromo-N-(2-chlorophenyl)-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 288.9869 Da
Monoisotopic Mass: 3.4
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]+	289.994176	156.0
[M+Na]+	311.976118	166.2
[M-H]-	287.979624	162.0
[M+NH4]+	307.020723	175.8
[M+K]+	327.950058	153.5
[M+H-H2O]+	271.984160	156.1
[M+HCOO]-	333.985101	171.5
[M+CH3COO]-	348.000751	199.5
[M+Na-2H]-	309.961566	159.6
[M]+	288.98635142	175.4
[M]-	288.98744858	175.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.