CID 28693441

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

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=NOC=N2
InChI
InChI=1S/C9H6N2O3/c12-9(13)7-3-1-2-6(4-7)8-10-5-14-11-8/h1-5H,(H,12,13)
InChIKey
NZZZFWKBYIYYQN-UHFFFAOYSA-N
Compound name
3-(1,2,4-oxadiazol-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

190.03784 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe