CID 215070

Ur 91

Structural Information

Molecular Formula
C9H7Cl2N3O2
SMILES
CN1C(=O)NC(=O)N1C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H7Cl2N3O2/c1-13-8(15)12-9(16)14(13)7-4-5(10)2-3-6(7)11/h2-4H,1H3,(H,12,15,16)
InChIKey
FPGIXUROCFLTQV-UHFFFAOYSA-N
Compound name
1-(2,5-dichlorophenyl)-2-methyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.99155 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99883 149.5
[M+Na]+ 281.98077 163.5
[M-H]- 257.98427 151.7
[M+NH4]+ 277.02537 165.4
[M+K]+ 297.95471 156.7
[M+H-H2O]+ 241.98881 142.5
[M+HCOO]- 303.98975 161.4
[M+CH3COO]- 318.00540 189.5
[M+Na-2H]- 279.96622 151.9
[M]+ 258.99100 153.2
[M]- 258.99210 153.2
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