CID 14880838

220780-57-4

Structural Information

Molecular Formula

C₄H₂BrNO₂

SMILES

C1=C(ON=C1Br)C=O

InChI

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

InChIKey

RXGNLDFDLLMAJZ-UHFFFAOYSA-N

Compound name

3-bromo-1,2-oxazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 174.9269 Da
Monoisotopic Mass: 1.2
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]+	175.934176	123.2
[M+Na]+	197.916118	137.1
[M-H]-	173.919624	129.5
[M+NH4]+	192.960723	146.4
[M+K]+	213.890058	128.8
[M+H-H2O]+	157.924160	123.8
[M+HCOO]-	219.925101	146.1
[M+CH3COO]-	233.940751	174.3
[M+Na-2H]-	195.901566	132.9
[M]+	174.92635142	144.1
[M]-	174.92744858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe