CID 14203474

28669-17-2

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1C(=O)NN=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C9H8N2O2/c12-8-6-13-9(11-10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12)
InChIKey
BKHCFFMTBGZSIR-UHFFFAOYSA-N
Compound name
2-phenyl-4H-1,3,4-oxadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

176.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 135.3
[M+Na]+ 199.04780 142.9
[M-H]- 175.05130 138.4
[M+NH4]+ 194.09240 150.3
[M+K]+ 215.02174 140.8
[M+H-H2O]+ 159.05584 127.2
[M+HCOO]- 221.05678 154.0
[M+CH3COO]- 235.07243 147.7
[M+Na-2H]- 197.03325 143.6
[M]+ 176.05803 132.1
[M]- 176.05913 132.1
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