CID 135473703

Methanone, (5-hydroxy-1,2,4-oxadiazol-3-yl)phenyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 137.0
[M+Na]+ 213.02706 150.0
[M+NH4]+ 208.07166 143.6
[M+K]+ 229.00100 147.3
[M-H]- 189.03056 139.2
[M+Na-2H]- 211.01251 143.9
[M]+ 190.03729 139.2
[M]- 190.03839 139.2
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

No patent data available for this compound.