CID 110903

6554-82-1

Structural Information

Molecular Formula
C8H17O2PS3
SMILES
CCOP(=S)(OCC)SC1CCSC1
InChI
InChI=1S/C8H17O2PS3/c1-3-9-11(12,10-4-2)14-8-5-6-13-7-8/h8H,3-7H2,1-2H3
InChIKey
KJZINSQBEHIGQZ-UHFFFAOYSA-N
Compound name
diethoxy-sulfanylidene-(thiolan-3-ylsulfanyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.01282 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02010 154.3
[M+Na]+ 295.00204 160.1
[M-H]- 271.00554 155.2
[M+NH4]+ 290.04664 173.1
[M+K]+ 310.97598 156.0
[M+H-H2O]+ 255.01008 146.4
[M+HCOO]- 317.01102 165.5
[M+CH3COO]- 331.02667 193.8
[M+Na-2H]- 292.98749 150.3
[M]+ 272.01227 156.5
[M]- 272.01337 156.5
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.