CID 68432705

Schembl2898347

Structural Information

Molecular Formula

C₇H₄BrNO₂

SMILES

C1=C(OC(=C1)Br)C2=CN=CO2

InChI

InChI=1S/C7H4BrNO2/c8-7-2-1-5(11-7)6-3-9-4-10-6/h1-4H

InChIKey

KWENLTSXERCRMW-UHFFFAOYSA-N

Compound name

5-(5-bromofuran-2-yl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 212.94254 Da
Monoisotopic Mass: 2.1
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]+	213.94982	139.6
[M+Na]+	235.93176	144.0
[M+NH4]+	230.97636	144.6
[M+K]+	251.90570	147.6
[M-H]-	211.93526	142.9
[M+Na-2H]-	233.91721	143.6
[M]+	212.94199	140.0
[M]-	212.94309	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe