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]+ 191.045116 135.5
[M+Na]+ 213.027058 144.9
[M-H]- 189.030564 139.6
[M+NH4]+ 208.071663 151.8
[M+K]+ 229.000998 143.0
[M+H-H2O]+ 173.035100 128.0
[M+HCOO]- 235.036041 157.3
[M+CH3COO]- 249.051691 176.3
[M+Na-2H]- 211.012506 141.9
[M]+ 190.03729142 136.0
[M]- 190.03838858 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.