CID 131384199

2090657-50-2

Structural Information

Molecular Formula

C₄H₂BrF₂NO

SMILES

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

InChI

InChI=1S/C4H2BrF2NO/c5-3-1-2(4(6)7)9-8-3/h1,4H

InChIKey

KIIQODGTBPYAFT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.92879 Da
Monoisotopic Mass: 2.0
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]+	197.93607	130.2
[M+Na]+	219.91801	143.6
[M-H]-	195.92151	133.9
[M+NH4]+	214.96261	152.4
[M+K]+	235.89195	135.0
[M+H-H2O]+	179.92605	129.0
[M+HCOO]-	241.92699	149.7
[M+CH3COO]-	255.94264	179.2
[M+Na-2H]-	217.90346	137.3
[M]+	196.92824	147.5
[M]-	196.92934	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.