CID 16227571

23464-94-0

Structural Information

Molecular Formula

C₁₂H₁₀FNO₃

SMILES

C1=CC(=CC=C1C2=CN=C(O2)CCC(=O)O)F

InChI

InChI=1S/C12H10FNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)

InChIKey

XCFZOPRHLRLVDB-UHFFFAOYSA-N

Compound name

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.06447 Da
Monoisotopic Mass: 1.9
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]+	236.071746	148.2
[M+Na]+	258.053688	157.0
[M-H]-	234.057194	152.2
[M+NH4]+	253.098293	164.3
[M+K]+	274.027628	154.7
[M+H-H2O]+	218.061730	140.3
[M+HCOO]-	280.062671	169.1
[M+CH3COO]-	294.078321	187.1
[M+Na-2H]-	256.039136	151.9
[M]+	235.06392142	149.3
[M]-	235.06501858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.