CID 22831873

888723-43-1

Structural Information

Molecular Formula

C₁₁H₇BrFNO₂

SMILES

C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)F

InChI

InChI=1S/C11H7BrFNO2/c12-6-10(15)11-5-9(14-16-11)7-1-3-8(13)4-2-7/h1-5H,6H2

InChIKey

MHGWOWJBQRRVJE-UHFFFAOYSA-N

Compound name

2-bromo-1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 282.96442 Da
Monoisotopic Mass: 2.9
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]+	283.97170	153.7
[M+Na]+	305.95364	166.3
[M-H]-	281.95714	161.6
[M+NH4]+	300.99824	172.5
[M+K]+	321.92758	156.3
[M+H-H2O]+	265.96168	152.3
[M+HCOO]-	327.96262	173.8
[M+CH3COO]-	341.97827	194.2
[M+Na-2H]-	303.93909	159.1
[M]+	282.96387	173.4
[M]-	282.96497	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe