CID 10632936

1847460-69-8

Structural Information

Molecular Formula

C₉H₅ClN₂O₃

SMILES

C1=CC(=CC=C1C2=NN=C(O2)C(=O)O)Cl

InChI

InChI=1S/C9H5ClN2O3/c10-6-3-1-5(2-4-6)7-11-12-8(15-7)9(13)14/h1-4H,(H,13,14)

InChIKey

ASSVYHKYJOKDQY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 223.99887 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]+	225.00615	142.8
[M+Na]+	246.98809	157.0
[M+NH4]+	242.03269	150.0
[M+K]+	262.96203	153.7
[M-H]-	222.99159	145.4
[M+Na-2H]-	244.97354	149.7
[M]+	223.99832	145.7
[M]-	223.99942	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe