CID 17242

Oxydisulfoton

Structural Information

Molecular Formula
C8H19O3PS3
SMILES
CCOP(=S)(OCC)SCCS(=O)CC
InChI
InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3
InChIKey
UPUGLJYNCXXUQV-UHFFFAOYSA-N
Compound name
diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

7
References

5957
Patents

290.0234 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03068 157.5
[M+Na]+ 313.01262 162.3
[M-H]- 289.01612 155.1
[M+NH4]+ 308.05722 173.4
[M+K]+ 328.98656 157.4
[M+H-H2O]+ 273.02066 148.4
[M+HCOO]- 335.02160 167.6
[M+CH3COO]- 349.03725 199.2
[M+Na-2H]- 310.99807 153.8
[M]+ 290.02285 163.2
[M]- 290.02395 163.2
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.