CID 339623

67764-99-2

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O₂

SMILES

CC1=C(C(=NO1)C2=CC=C(C=C2)F)C(=O)NC

InChI

InChI=1S/C12H11FN2O2/c1-7-10(12(16)14-2)11(15-17-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,14,16)

InChIKey

DVDZYPBJVUNUKM-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 234.08046 Da
Monoisotopic Mass: 1.8
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]+	235.087736	149.5
[M+Na]+	257.069678	159.0
[M-H]-	233.073184	155.3
[M+NH4]+	252.114283	166.6
[M+K]+	273.043618	157.0
[M+H-H2O]+	217.077720	141.4
[M+HCOO]-	279.078661	172.8
[M+CH3COO]-	293.094311	193.0
[M+Na-2H]-	255.055126	153.4
[M]+	234.07991142	150.7
[M]-	234.08100858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe