CID 9588169

71108-21-9

Structural Information

Molecular Formula
C11H9Cl3N4O2S3
SMILES
CC1(/C(=N\OC(=O)N(C)SC(Cl)(Cl)Cl)/SC(=C(C#N)C#N)S1)C
InChI
InChI=1S/C11H9Cl3N4O2S3/c1-10(2)8(21-7(22-10)6(4-15)5-16)17-20-9(19)18(3)23-11(12,13)14/h1-3H3/b17-8+
InChIKey
UEKLLODROBJFPY-CAOOACKPSA-N
Compound name
[(E)-[2-(dicyanomethylidene)-5,5-dimethyl-1,3-dithiolan-4-ylidene]amino] N-methyl-N-(trichloromethylsulfanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.89532 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.90260 209.1
[M+Na]+ 452.88454 218.4
[M-H]- 428.88804 215.5
[M+NH4]+ 447.92914 220.4
[M+K]+ 468.85848 214.5
[M+H-H2O]+ 412.89258 198.7
[M+HCOO]- 474.89352 201.1
[M+CH3COO]- 488.90917 239.8
[M+Na-2H]- 450.86999 205.4
[M]+ 429.89477 205.0
[M]- 429.89587 205.0
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.