CID 268117

1-phenylpyrazolidine-3,5-dione

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1C(=O)NN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H8N2O2/c12-8-6-9(13)11(10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12)
InChIKey
JHRGJMLMFWJXOG-UHFFFAOYSA-N
Compound name
1-phenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

176.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 137.2
[M+Na]+ 199.04780 149.1
[M+NH4]+ 194.09240 144.5
[M+K]+ 215.02174 145.3
[M-H]- 175.05130 138.5
[M+Na-2H]- 197.03325 143.3
[M]+ 176.05803 138.9
[M]- 176.05913 138.9
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

patents stripe