CID 21505104

1240598-57-5

Structural Information

Molecular Formula

SMILES

C1=C(N=CO1)Br

InChI

InChI=1S/C3H2BrNO/c4-3-1-6-2-5-3/h1-2H

InChIKey

FECNEVFIYVUTEP-UHFFFAOYSA-N

Compound name

4-bromo-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 146.93198 Da
Monoisotopic Mass: 1.4
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]+	147.93926	117.9
[M+Na]+	169.92120	131.2
[M-H]-	145.92470	124.0
[M+NH4]+	164.96580	142.0
[M+K]+	185.89514	123.4
[M+H-H2O]+	129.92924	118.7
[M+HCOO]-	191.93018	140.7
[M+CH3COO]-	205.94583	169.5
[M+Na-2H]-	167.90665	128.7
[M]+	146.93143	137.4
[M]-	146.93253	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe