CID 388171

Nsc682736

Structural Information

Molecular Formula
C15H10ClN3O3
SMILES
C1=CC=C(C=C1)C(=O)N2C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClN3O3/c16-11-6-8-12(9-7-11)18-14(21)17-19(15(18)22)13(20)10-4-2-1-3-5-10/h1-9H,(H,17,21)
InChIKey
GEZMVUGKLDZIRR-UHFFFAOYSA-N
Compound name
1-benzoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

315.04108 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04836 167.5
[M+Na]+ 338.03030 179.0
[M-H]- 314.03380 173.2
[M+NH4]+ 333.07490 179.7
[M+K]+ 354.00424 171.9
[M+H-H2O]+ 298.03834 158.1
[M+HCOO]- 360.03928 183.4
[M+CH3COO]- 374.05493 179.0
[M+Na-2H]- 336.01575 169.6
[M]+ 315.04053 169.8
[M]- 315.04163 169.8
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