CID 104639446

2126177-44-2

Structural Information

Molecular Formula

C₈H₄FN₃O₃

SMILES

C1=CC(=NC=C1F)C2=NN=C(O2)C(=O)O

InChI

InChI=1S/C8H4FN3O3/c9-4-1-2-5(10-3-4)6-11-12-7(15-6)8(13)14/h1-3H,(H,13,14)

InChIKey

CXXQVLMQUXTSEC-UHFFFAOYSA-N

Compound name

5-(5-fluoropyridin-2-yl)-1,3,4-oxadiazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.02367 Da
Monoisotopic Mass: 0.3
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]+	210.03095	138.4
[M+Na]+	232.01289	148.9
[M-H]-	208.01639	140.2
[M+NH4]+	227.05749	152.8
[M+K]+	247.98683	147.2
[M+H-H2O]+	192.02093	129.4
[M+HCOO]-	254.02187	157.9
[M+CH3COO]-	268.03752	180.8
[M+Na-2H]-	229.99834	143.9
[M]+	209.02312	139.1
[M]-	209.02422	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe