CID 15115

Dimexano

Structural Information

Molecular Formula
C4H6O2S4
SMILES
COC(=S)SSC(=S)OC
InChI
InChI=1S/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3
InChIKey
FVCPXLWAKNJIKK-UHFFFAOYSA-N
Compound name
O-methyl (methoxycarbothioyldisulfanyl)methanethioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6983
Patents

213.92506 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.93234 142.6
[M+Na]+ 236.91428 149.0
[M-H]- 212.91778 140.8
[M+NH4]+ 231.95888 159.9
[M+K]+ 252.88822 142.1
[M+H-H2O]+ 196.92232 136.6
[M+HCOO]- 258.92326 141.1
[M+CH3COO]- 272.93891 183.7
[M+Na-2H]- 234.89973 140.4
[M]+ 213.92451 142.0
[M]- 213.92561 142.0
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.