CID 12979290

223555-95-1

Structural Information

Molecular Formula

C₉H₈BrNO₂

SMILES

C1COC(=O)N1C2=CC=C(C=C2)Br

InChI

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

InChIKey

FJGPGFCQWYNYPR-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 240.97385 Da
Monoisotopic Mass: 2.2
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]+	241.981126	143.7
[M+Na]+	263.963068	155.6
[M-H]-	239.966574	152.5
[M+NH4]+	259.007673	164.2
[M+K]+	279.937008	146.4
[M+H-H2O]+	223.971110	143.6
[M+HCOO]-	285.972051	163.8
[M+CH3COO]-	299.987701	186.0
[M+Na-2H]-	261.948516	150.2
[M]+	240.97330142	161.8
[M]-	240.97439858	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe