CID 135765438

3-(3-nitrophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one

Structural Information

Molecular Formula
C8H5N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=O)N2
InChI
InChI=1S/C8H5N3O4/c12-8-9-7(10-15-8)5-2-1-3-6(4-5)11(13)14/h1-4H,(H,9,10,12)
InChIKey
COXDLQHDPALXMA-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03528 137.7
[M+Na]+ 230.01722 151.4
[M+NH4]+ 225.06182 144.2
[M+K]+ 245.99116 151.6
[M-H]- 206.02072 141.4
[M+Na-2H]- 228.00267 144.3
[M]+ 207.02745 140.4
[M]- 207.02855 140.4
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