CID 9568463

Clodanolene

Structural Information

Molecular Formula
C14H9Cl2N3O3
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl2N3O3/c15-10-3-1-8(5-11(10)16)12-4-2-9(22-12)6-17-19-7-13(20)18-14(19)21/h1-6H,7H2,(H,18,20,21)/b17-6+
InChIKey
HIQONTNPQNNMST-UBKPWBPPSA-N
Compound name
1-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

329
Patents

337.0021 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.00938 176.8
[M+Na]+ 359.99132 187.5
[M-H]- 335.99482 184.7
[M+NH4]+ 355.03592 190.9
[M+K]+ 375.96526 181.7
[M+H-H2O]+ 319.99936 169.0
[M+HCOO]- 382.00030 189.5
[M+CH3COO]- 396.01595 188.1
[M+Na-2H]- 357.97677 175.6
[M]+ 337.00155 180.0
[M]- 337.00265 180.0
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