CID 2763222

933673-61-1

Structural Information

Molecular Formula

SMILES

C1=C(ON=C1Br)C(F)(F)F

InChI

InChI=1S/C4HBrF3NO/c5-3-1-2(10-9-3)4(6,7)8/h1H

InChIKey

QNRHCAQNLPLUOM-UHFFFAOYSA-N

Compound name

3-bromo-5-(trifluoromethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.91936 Da
Monoisotopic Mass: 2.3
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]+	215.92664	134.2
[M+Na]+	237.90858	148.4
[M-H]-	213.91208	136.9
[M+NH4]+	232.95318	155.9
[M+K]+	253.88252	139.3
[M+H-H2O]+	197.91662	132.7
[M+HCOO]-	259.91756	152.2
[M+CH3COO]-	273.93321	180.8
[M+Na-2H]-	235.89403	142.4
[M]+	214.91881	150.4
[M]-	214.91991	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe