CID 45015

63887-02-5

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₃

SMILES

CNC(=O)C1=C(C=CC(=C1)Br)OCCO

InChI

InChI=1S/C10H12BrNO3/c1-12-10(14)8-6-7(11)2-3-9(8)15-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)

InChIKey

SOBYBGYFETUFEY-UHFFFAOYSA-N

Compound name

5-bromo-2-(2-hydroxyethoxy)-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.00006 Da
Monoisotopic Mass: 1.7
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]+	274.007336	150.9
[M+Na]+	295.989278	161.0
[M-H]-	271.992784	155.8
[M+NH4]+	291.033883	169.9
[M+K]+	311.963218	149.9
[M+H-H2O]+	255.997320	149.8
[M+HCOO]-	317.998261	171.7
[M+CH3COO]-	332.013911	194.1
[M+Na-2H]-	293.974726	156.5
[M]+	272.99951142	170.3
[M]-	273.00060858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.