CID 110851

Hooker hrs-1634

Structural Information

Molecular Formula
C10H17O2PS3
SMILES
COP(=S)(OC)SC1CCC2C=CCC1S2
InChI
InChI=1S/C10H17O2PS3/c1-11-13(14,12-2)16-10-7-6-8-4-3-5-9(10)15-8/h3-4,8-10H,5-7H2,1-2H3
InChIKey
LXMOCKSOJYUBRI-UHFFFAOYSA-N
Compound name
dimethoxy-sulfanylidene-(9-thiabicyclo[3.3.1]non-6-en-2-ylsulfanyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.01282 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02010 154.2
[M+Na]+ 319.00204 158.8
[M-H]- 295.00554 153.4
[M+NH4]+ 314.04664 171.7
[M+K]+ 334.97598 154.3
[M+H-H2O]+ 279.01008 146.7
[M+HCOO]- 341.01102 161.1
[M+CH3COO]- 355.02667 199.8
[M+Na-2H]- 316.98749 154.7
[M]+ 296.01227 154.9
[M]- 296.01337 154.9
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.