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 138.9
[M+Na]+ 229.02198 148.6
[M-H]- 205.02548 142.0
[M+NH4]+ 224.06658 154.0
[M+K]+ 244.99592 146.4
[M+H-H2O]+ 189.03002 131.7
[M+HCOO]- 251.03096 159.3
[M+CH3COO]- 265.04661 177.3
[M+Na-2H]- 227.00743 144.2
[M]+ 206.03221 139.3
[M]- 206.03331 139.3
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