CID 83906143

4-bromo-1,2-oxazole-3-carbaldehyde

Structural Information

Molecular Formula

C₄H₂BrNO₂

SMILES

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

InChI

InChI=1S/C4H2BrNO2/c5-3-2-8-6-4(3)1-7/h1-2H

InChIKey

HJVGLLKKTHGSIW-UHFFFAOYSA-N

Compound name

4-bromo-1,2-oxazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.9269 Da
Monoisotopic Mass: 0.9
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]+	175.93418	123.2
[M+Na]+	197.91612	137.1
[M-H]-	173.91962	129.5
[M+NH4]+	192.96072	146.4
[M+K]+	213.89006	128.8
[M+H-H2O]+	157.92416	123.8
[M+HCOO]-	219.92510	146.1
[M+CH3COO]-	233.94075	174.3
[M+Na-2H]-	195.90157	132.9
[M]+	174.92635	144.1
[M]-	174.92745	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.