CID 66696610

5-(4-bromophenyl)-4-methyloxazole

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CC1=C(OC=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H8BrNO/c1-7-10(13-6-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3

InChIKey

FPDIVCWHNNUBSE-UHFFFAOYSA-N

Compound name

5-(4-bromophenyl)-4-methyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 236.97893 Da
Monoisotopic Mass: 3.1
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]+	237.98621	144.9
[M+Na]+	259.96815	150.1
[M+NH4]+	255.01275	150.4
[M+K]+	275.94209	150.9
[M-H]-	235.97165	148.1
[M+Na-2H]-	257.95360	149.9
[M]+	236.97838	145.5
[M]-	236.97948	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe