CID 1002

5-phenylhydantoin

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C(C=C1)C2C(=O)NC(=O)N2
InChI
InChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)
InChIKey
NXQJDVBMMRCKQG-UHFFFAOYSA-N
Compound name
5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

34
References

1044
Patents

176.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 136.1
[M+Na]+ 199.04780 144.2
[M-H]- 175.05130 137.7
[M+NH4]+ 194.09240 153.8
[M+K]+ 215.02174 140.0
[M+H-H2O]+ 159.05584 129.0
[M+HCOO]- 221.05678 155.2
[M+CH3COO]- 235.07243 172.5
[M+Na-2H]- 197.03325 139.8
[M]+ 176.05803 130.8
[M]- 176.05913 130.8
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