CID 7131055

4-(1,3,4-oxadiazol-2-yl)benzoic acid

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC(=CC=C1C2=NN=CO2)C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-9(13)7-3-1-6(2-4-7)8-11-10-5-14-8/h1-5H,(H,12,13)
InChIKey
IZTWSORAYAOGDE-UHFFFAOYSA-N
Compound name
4-(1,3,4-oxadiazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

190.03784 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 137.3
[M+Na]+ 213.02706 150.3
[M+NH4]+ 208.07166 144.2
[M+K]+ 229.00100 147.8
[M-H]- 189.03056 139.8
[M+Na-2H]- 211.01251 144.4
[M]+ 190.03729 139.7
[M]- 190.03839 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe