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
3
Annotation Hits

1
References

5354
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

literature stripe

Patent stripe

patents stripe