CID 4520957

Davy-reagent ethyl

Structural Information

Molecular Formula
C4H10P2S6
SMILES
CCSP1(=S)SP(=S)(S1)SCC
InChI
InChI=1S/C4H10P2S6/c1-3-9-5(7)11-6(8,12-5)10-4-2/h3-4H2,1-2H3
InChIKey
MWOVCTRVAHZEQB-UHFFFAOYSA-N
Compound name
2,4-bis(ethylsulfanyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

311.85822 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.86550 117.6
[M+Na]+ 334.84744 118.8
[M+NH4]+ 329.89204 124.3
[M+K]+ 350.82138 109.4
[M-H]- 310.85094 116.5
[M+Na-2H]- 332.83289 119.4
[M]+ 311.85767 118.6
[M]- 311.85877 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe