CID 16455310

2-(4-chlorophenyl)-4h-1,3,4-oxadiazin-5(6h)-one

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
C1C(=O)NN=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(13)5-14-9/h1-4H,5H2,(H,11,13)
InChIKey
KJVIHPYFNTTZFV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-4H-1,3,4-oxadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

210.0196 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 141.4
[M+Na]+ 233.00882 156.6
[M+NH4]+ 228.05342 149.5
[M+K]+ 248.98276 150.0
[M-H]- 209.01232 145.3
[M+Na-2H]- 230.99427 149.2
[M]+ 210.01905 144.9
[M]- 210.02015 144.9
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