CID 135490623

189365-92-2

Structural Information

Molecular Formula
C9H6N2O4
SMILES
C1=CC(=CC=C1C2=NOC(=O)N2)C(=O)O
InChI
InChI=1S/C9H6N2O4/c12-8(13)6-3-1-5(2-4-6)7-10-9(14)15-11-7/h1-4H,(H,12,13)(H,10,11,14)
InChIKey
AIHHXKBESQKXFV-UHFFFAOYSA-N
Compound name
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

206.03276 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04004 140.7
[M+Na]+ 229.02198 152.9
[M+NH4]+ 224.06658 146.3
[M+K]+ 244.99592 151.4
[M-H]- 205.02548 141.9
[M+Na-2H]- 227.00743 146.2
[M]+ 206.03221 142.4
[M]- 206.03331 142.4
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