CID 91621614

4-(4-bromo-phenyl)-3h-oxazol-2-one

Structural Information

Molecular Formula

C₉H₆BrNO₂

SMILES

C1=CC(=CC=C1C2=COC(=O)N2)Br

InChI

InChI=1S/C9H6BrNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)

InChIKey

OHZYIXHKAQQQQS-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)-3H-1,3-oxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.95819 Da
Monoisotopic Mass: 2.0
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]+	239.96547	144.2
[M+Na]+	261.94741	148.8
[M+NH4]+	256.99201	148.8
[M+K]+	277.92135	150.3
[M-H]-	237.95091	146.4
[M+Na-2H]-	259.93286	148.4
[M]+	238.95764	144.3
[M]-	238.95874	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe