CID 18537259

237386-05-9

Structural Information

Molecular Formula

C₅H₄BrNO₂

SMILES

C1=C(ON=C1)C(=O)CBr

InChI

InChI=1S/C5H4BrNO2/c6-3-4(8)5-1-2-7-9-5/h1-2H,3H2

InChIKey

GRWPKLYXGZKGCR-UHFFFAOYSA-N

Compound name

2-bromo-1-(1,2-oxazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 188.94254 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]+	189.949816	129.5
[M+Na]+	211.931758	141.9
[M-H]-	187.935264	135.4
[M+NH4]+	206.976363	151.8
[M+K]+	227.905698	133.7
[M+H-H2O]+	171.939800	129.7
[M+HCOO]-	233.940741	151.1
[M+CH3COO]-	247.956391	176.9
[M+Na-2H]-	209.917206	138.0
[M]+	188.94199142	149.8
[M]-	188.94308858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe