CID 199686

4752-35-6

Structural Information

Molecular Formula
C5H13O2PS3
SMILES
COP(=S)(OC)SCCSC
InChI
InChI=1S/C5H13O2PS3/c1-6-8(9,7-2)11-5-4-10-3/h4-5H2,1-3H3
InChIKey
ABKKUIZOZFQVAA-UHFFFAOYSA-N
Compound name
dimethoxy-(2-methylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98154 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98882 142.0
[M+Na]+ 254.97076 148.5
[M-H]- 230.97426 140.3
[M+NH4]+ 250.01536 160.4
[M+K]+ 270.94470 144.1
[M+H-H2O]+ 214.97880 133.6
[M+HCOO]- 276.97974 153.7
[M+CH3COO]- 290.99539 189.1
[M+Na-2H]- 252.95621 139.8
[M]+ 231.98099 146.6
[M]- 231.98209 146.6
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.