CID 19863021

958891-05-9

Structural Information

Molecular Formula

C₁₀H₈FNO₃

SMILES

C1C(ON=C1C2=CC(=CC=C2)F)C(=O)O

InChI

InChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)

InChIKey

TXCSUIQCEFRHID-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.04883 Da
Monoisotopic Mass: 1.5
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]+	210.056106	140.3
[M+Na]+	232.038048	148.9
[M-H]-	208.041554	144.2
[M+NH4]+	227.082653	157.4
[M+K]+	248.011988	147.4
[M+H-H2O]+	192.046090	132.8
[M+HCOO]-	254.047031	160.4
[M+CH3COO]-	268.062681	181.4
[M+Na-2H]-	230.023496	144.2
[M]+	209.04828142	139.3
[M]-	209.04937858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe