CID 72764

61152-07-6

Structural Information

Molecular Formula

C₁₁H₉FN₂O₂

SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)F)C(=O)N

InChI

InChI=1S/C11H9FN2O2/c1-6-9(10(13)15)14-11(16-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H2,13,15)

InChIKey

WOSHMVUHTCRJIF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.0648 Da
Monoisotopic Mass: 1.7
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]+	221.072076	145.1
[M+Na]+	243.054018	155.0
[M-H]-	219.057524	150.5
[M+NH4]+	238.098623	162.4
[M+K]+	259.027958	152.8
[M+H-H2O]+	203.062060	137.2
[M+HCOO]-	265.063001	168.1
[M+CH3COO]-	279.078651	190.0
[M+Na-2H]-	241.039466	148.5
[M]+	220.06425142	145.0
[M]-	220.06534858	145.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.