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 135.5
[M+Na]+ 213.02706 144.9
[M-H]- 189.03056 139.6
[M+NH4]+ 208.07166 151.8
[M+K]+ 229.00100 143.0
[M+H-H2O]+ 173.03510 128.0
[M+HCOO]- 235.03604 157.3
[M+CH3COO]- 249.05169 176.3
[M+Na-2H]- 211.01251 141.9
[M]+ 190.03729 136.0
[M]- 190.03839 136.0
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.