CID 66545292

2-(2-bromo-5-methoxyphenyl)-n-methylacetamide

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

CNC(=O)CC1=C(C=CC(=C1)OC)Br

InChI

InChI=1S/C10H12BrNO2/c1-12-10(13)6-7-5-8(14-2)3-4-9(7)11/h3-5H,6H2,1-2H3,(H,12,13)

InChIKey

CSSDUGGOZLYHIF-UHFFFAOYSA-N

Compound name

2-(2-bromo-5-methoxyphenyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.00513 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]+	258.012406	147.6
[M+Na]+	279.994348	158.4
[M-H]-	255.997854	154.0
[M+NH4]+	275.038953	168.1
[M+K]+	295.968288	147.7
[M+H-H2O]+	240.002390	146.8
[M+HCOO]-	302.003331	169.7
[M+CH3COO]-	316.018981	194.5
[M+Na-2H]-	277.979796	153.7
[M]+	257.00458142	167.6
[M]-	257.00567858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.