CID 113758

63716-52-9

Structural Information

Molecular Formula
C6H11O3PS3
SMILES
COP(=S)(OC)SC1CSC=CO1
InChI
InChI=1S/C6H11O3PS3/c1-7-10(11,8-2)13-6-5-12-4-3-9-6/h3-4,6H,5H2,1-2H3
InChIKey
SVRGTAIJSHLTQN-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-oxathiin-2-ylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9608 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96808 146.1
[M+Na]+ 280.95002 152.1
[M-H]- 256.95352 147.8
[M+NH4]+ 275.99462 162.2
[M+K]+ 296.92396 149.0
[M+H-H2O]+ 240.95806 137.7
[M+HCOO]- 302.95900 156.9
[M+CH3COO]- 316.97465 189.9
[M+Na-2H]- 278.93547 146.0
[M]+ 257.96025 147.9
[M]- 257.96135 147.9
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.