CID 45099269

4-bromo-1,2-oxazol-3-ol

Structural Information

Molecular Formula

C₃H₂BrNO₂

SMILES

C1=C(C(=O)NO1)Br

InChI

InChI=1S/C3H2BrNO2/c4-2-1-7-5-3(2)6/h1H,(H,5,6)

InChIKey

UMYDUNFWOVFVDO-UHFFFAOYSA-N

Compound name

4-bromo-1,2-oxazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 162.9269 Da
Monoisotopic Mass: 0.6
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]+	163.93418	120.2
[M+Na]+	185.91612	134.0
[M-H]-	161.91962	125.3
[M+NH4]+	180.96072	143.1
[M+K]+	201.89006	125.0
[M+H-H2O]+	145.92416	121.0
[M+HCOO]-	207.92510	141.9
[M+CH3COO]-	221.94075	169.1
[M+Na-2H]-	183.90157	129.8
[M]+	162.92635	138.9
[M]-	162.92745	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe