CID 3049200

64589-82-8

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₃

SMILES

C1C(OC(=O)N1C2=CC(=CC=C2)Br)CO

InChI

InChI=1S/C10H10BrNO3/c11-7-2-1-3-8(4-7)12-5-9(6-13)15-10(12)14/h1-4,9,13H,5-6H2

InChIKey

BMEYGNMIOZBVAE-UHFFFAOYSA-N

Compound name

3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.9844 Da
Monoisotopic Mass: 1.5
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]+	271.991676	151.5
[M+Na]+	293.973618	163.1
[M-H]-	269.977124	159.1
[M+NH4]+	289.018223	170.2
[M+K]+	309.947558	153.2
[M+H-H2O]+	253.981660	151.2
[M+HCOO]-	315.982601	169.9
[M+CH3COO]-	329.998251	189.5
[M+Na-2H]-	291.959066	156.3
[M]+	270.98385142	169.8
[M]-	270.98494858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.