CID 20823884

5-(3-bromophenyl)oxazolidin-2-one

Structural Information

Molecular Formula

C₉H₈BrNO₂

SMILES

C1C(OC(=O)N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C9H8BrNO2/c10-7-3-1-2-6(4-7)8-5-11-9(12)13-8/h1-4,8H,5H2,(H,11,12)

InChIKey

KXRLLPOTYKCTOC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 240.97385 Da
Monoisotopic Mass: 1.9
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]+	241.98113	144.8
[M+Na]+	263.96307	156.2
[M-H]-	239.96657	152.2
[M+NH4]+	259.00767	164.5
[M+K]+	279.93701	146.0
[M+H-H2O]+	223.97111	144.7
[M+HCOO]-	285.97205	163.4
[M+CH3COO]-	299.98770	183.6
[M+Na-2H]-	261.94852	150.7
[M]+	240.97330	161.1
[M]-	240.97440	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe