CID 6488378

883541-64-8

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O₃

SMILES

C1=CC(=CC=C1C2=NOC(=N2)CCCC(=O)O)F

InChI

InChI=1S/C12H11FN2O3/c13-9-6-4-8(5-7-9)12-14-10(18-15-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17)

InChIKey

ADZWCBJOLPWMPT-UHFFFAOYSA-N

Compound name

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.07536 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]+	251.082636	152.5
[M+Na]+	273.064578	161.2
[M-H]-	249.068084	155.0
[M+NH4]+	268.109183	166.6
[M+K]+	289.038518	158.8
[M+H-H2O]+	233.072620	143.6
[M+HCOO]-	295.073561	172.0
[M+CH3COO]-	309.089211	189.9
[M+Na-2H]-	271.050026	156.1
[M]+	250.07481142	154.1
[M]-	250.07590858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.