CID 66926

Dibutyl xanthogen disulfide

Structural Information

Molecular Formula
C10H18O2S4
SMILES
CCCCOC(=S)SSC(=S)OCCCC
InChI
InChI=1S/C10H18O2S4/c1-3-5-7-11-9(13)15-16-10(14)12-8-6-4-2/h3-8H2,1-2H3
InChIKey
QCAZHHXMIVSLMW-UHFFFAOYSA-N
Compound name
O-butyl (butoxycarbothioyldisulfanyl)methanethioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

543
Patents

298.01895 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02623 164.6
[M+Na]+ 321.00817 168.6
[M-H]- 297.01167 161.7
[M+NH4]+ 316.05277 178.9
[M+K]+ 336.98211 160.3
[M+H-H2O]+ 281.01621 157.6
[M+HCOO]- 343.01715 161.6
[M+CH3COO]- 357.03280 199.8
[M+Na-2H]- 318.99362 160.5
[M]+ 298.01840 165.9
[M]- 298.01950 165.9
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.