CID 9588168

71108-14-0

Structural Information

Molecular Formula
C10H15Cl3N4O2S3
SMILES
CC1(/C(=N\OC(=O)N(C)SC(Cl)(Cl)Cl)/S/C(=N\N(C)C)/S1)C
InChI
InChI=1S/C10H15Cl3N4O2S3/c1-9(2)6(20-7(21-9)14-16(3)4)15-19-8(18)17(5)22-10(11,12)13/h1-5H3/b14-7+,15-6+
InChIKey
JIPXAMDNVZRBDI-UWQNIFAVSA-N
Compound name
[(E)-[(2Z)-2-(dimethylhydrazinylidene)-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

423.94226 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.94954 191.2
[M+Na]+ 446.93148 195.7
[M-H]- 422.93498 197.2
[M+NH4]+ 441.97608 207.5
[M+K]+ 462.90542 191.4
[M+H-H2O]+ 406.93952 188.4
[M+HCOO]- 468.94046 187.3
[M+CH3COO]- 482.95611 231.1
[M+Na-2H]- 444.91693 190.7
[M]+ 423.94171 196.7
[M]- 423.94281 196.7
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.