CID 21075577

2-(4-(bromomethyl)phenyl)oxazole

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

C1=CC(=CC=C1CBr)C2=NC=CO2

InChI

InChI=1S/C10H8BrNO/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-6H,7H2

InChIKey

WCQXLMNESIAZAA-UHFFFAOYSA-N

Compound name

2-[4-(bromomethyl)phenyl]-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 236.97893 Da
Monoisotopic Mass: 2.6
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]+	237.98621	143.2
[M+Na]+	259.96815	155.6
[M-H]-	235.97165	152.1
[M+NH4]+	255.01275	163.8
[M+K]+	275.94209	146.0
[M+H-H2O]+	219.97619	142.9
[M+HCOO]-	281.97713	165.3
[M+CH3COO]-	295.99278	159.1
[M+Na-2H]-	257.95360	151.7
[M]+	236.97838	163.3
[M]-	236.97948	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe