CID 384605

Nsc674617

Structural Information

Molecular Formula
C10H9Cl6N3O4
SMILES
CC(C)(C)N1C(=O)N(N(C1=O)C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H9Cl6N3O4/c1-8(2,3)17-6(22)18(4(20)9(11,12)13)19(7(17)23)5(21)10(14,15)16/h1-3H3
InChIKey
ZRNCDPQSOKHHFI-UHFFFAOYSA-N
Compound name
4-tert-butyl-1,2-bis(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.87244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.87972 190.0
[M+Na]+ 467.86166 197.9
[M-H]- 443.86516 185.3
[M+NH4]+ 462.90626 197.4
[M+K]+ 483.83560 195.4
[M+H-H2O]+ 427.86970 184.9
[M+HCOO]- 489.87064 175.1
[M+CH3COO]- 503.88629 220.8
[M+Na-2H]- 465.84711 186.2
[M]+ 444.87189 188.8
[M]- 444.87299 188.8
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

No patent data available for this compound.