CID 9588006

2,5-thiomorpholinedione, 3,4-dimethyl-, 2-(o-((methyl((trichloromethyl)thio)amino)carbonyl)oxime)

Structural Information

Molecular Formula
C9H12Cl3N3O3S2
SMILES
CC1/C(=N\OC(=O)N(C)SC(Cl)(Cl)Cl)/SCC(=O)N1C
InChI
InChI=1S/C9H12Cl3N3O3S2/c1-5-7(19-4-6(16)14(5)2)13-18-8(17)15(3)20-9(10,11)12/h5H,4H2,1-3H3/b13-7+
InChIKey
FVWDMVWBDHYPKS-NTUHNPAUSA-N
Compound name
[(E)-(3,4-dimethyl-5-oxothiomorpholin-2-ylidene)amino] N-methyl-N-(trichloromethylsulfanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.93857 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.94585 175.4
[M+Na]+ 401.92779 181.3
[M-H]- 377.93129 178.8
[M+NH4]+ 396.97239 188.9
[M+K]+ 417.90173 177.3
[M+H-H2O]+ 361.93583 171.8
[M+HCOO]- 423.93677 171.4
[M+CH3COO]- 437.95242 216.8
[M+Na-2H]- 399.91324 173.3
[M]+ 378.93802 180.0
[M]- 378.93912 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.