CID 132353700

2138534-69-5

Structural Information

Molecular Formula

C₆H₅F₂NO₂

SMILES

CC(=O)C1=NOC(=C1)C(F)F

InChI

InChI=1S/C6H5F2NO2/c1-3(10)4-2-5(6(7)8)11-9-4/h2,6H,1H3

InChIKey

IVLCVYNOIRDESI-UHFFFAOYSA-N

Compound name

1-[5-(difluoromethyl)-1,2-oxazol-3-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.02884 Da
Monoisotopic Mass: 1.0
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]+	162.03612	133.4
[M+Na]+	184.01806	142.6
[M+NH4]+	179.06266	139.3
[M+K]+	199.99200	140.7
[M-H]-	160.02156	131.5
[M+Na-2H]-	182.00351	136.2
[M]+	161.02829	133.7
[M]-	161.02939	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.