CID 66923

105-65-7

Structural Information

Molecular Formula
C8H14O2S4
SMILES
CC(C)OC(=S)SSC(=S)OC(C)C
InChI
InChI=1S/C8H14O2S4/c1-5(2)9-7(11)13-14-8(12)10-6(3)4/h5-6H,1-4H3
InChIKey
ZWWQICJTBOCQLA-UHFFFAOYSA-N
Compound name
O-propan-2-yl (propan-2-yloxycarbothioyldisulfanyl)methanethioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

5031
Patents

269.98767 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99495 157.0
[M+Na]+ 292.97689 161.0
[M-H]- 268.98039 154.5
[M+NH4]+ 288.02149 172.1
[M+K]+ 308.95083 154.2
[M+H-H2O]+ 252.98493 150.5
[M+HCOO]- 314.98587 152.3
[M+CH3COO]- 329.00152 196.0
[M+Na-2H]- 290.96234 152.4
[M]+ 269.98712 156.8
[M]- 269.98822 156.8
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.