CID 14913650

103788-62-1

Structural Information

Molecular Formula

C₁₂H₁₀BrNO₂

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)CBr

InChI

InChI=1S/C12H10BrNO2/c1-8-11(10(15)7-13)14-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

RSBWHTQEZHZARK-UHFFFAOYSA-N

Compound name

2-bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 278.9895 Da
Monoisotopic Mass: 3.2
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]+	279.99678	155.0
[M+Na]+	301.97872	159.2
[M+NH4]+	297.02332	159.4
[M+K]+	317.95266	160.6
[M-H]-	277.98222	157.4
[M+Na-2H]-	299.96417	158.8
[M]+	278.98895	155.1
[M]-	278.99005	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe