CID 9588165

71108-06-0

Structural Information

Molecular Formula
C11H16Cl3N3O2S3
SMILES
CC(C)N=C1S/C(=N/OC(=O)N(C)SC(Cl)(Cl)Cl)/C(S1)(C)C
InChI
InChI=1S/C11H16Cl3N3O2S3/c1-6(2)15-8-20-7(10(3,4)21-8)16-19-9(18)17(5)22-11(12,13)14/h6H,1-5H3/b15-8?,16-7+
InChIKey
RQUMHYDSCNIHTL-RYKRFFCXSA-N
Compound name
[(E)-(5,5-dimethyl-2-propan-2-ylimino-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

422.94702 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.95430 190.0
[M+Na]+ 445.93624 194.6
[M-H]- 421.93974 194.9
[M+NH4]+ 440.98084 206.2
[M+K]+ 461.91018 189.6
[M+H-H2O]+ 405.94428 187.8
[M+HCOO]- 467.94522 183.8
[M+CH3COO]- 481.96087 227.1
[M+Na-2H]- 443.92169 188.2
[M]+ 422.94647 195.0
[M]- 422.94757 195.0
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.