CID 23447882

1736-18-1

Structural Information

Molecular Formula

C₁₁H₈FNO₃

SMILES

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

InChI

InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)

InChIKey

BOTWBGBHYPTPRX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 221.04883 Da
Monoisotopic Mass: 2.1
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]+	222.05611	147.0
[M+Na]+	244.03805	159.5
[M+NH4]+	239.08265	153.6
[M+K]+	260.01199	156.5
[M-H]-	220.04155	148.8
[M+Na-2H]-	242.02350	152.5
[M]+	221.04828	149.1
[M]-	221.04938	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe