CID 81345

Bis(diethoxythiophosphinoyl) trisulphide

Structural Information

Molecular Formula
C8H20O4P2S5
SMILES
CCOP(=S)(OCC)SSSP(=S)(OCC)OCC
InChI
InChI=1S/C8H20O4P2S5/c1-5-9-13(15,10-6-2)17-19-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3
InChIKey
IQEAJQZWSFSIDF-UHFFFAOYSA-N
Compound name
(diethoxyphosphinothioyltrisulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

401.94403 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.95131 181.2
[M+Na]+ 424.93325 183.3
[M-H]- 400.93675 174.7
[M+NH4]+ 419.97785 190.6
[M+K]+ 440.90719 173.2
[M+H-H2O]+ 384.94129 167.3
[M+HCOO]- 446.94223 185.8
[M+CH3COO]- 460.95788 218.3
[M+Na-2H]- 422.91870 179.0
[M]+ 401.94348 180.0
[M]- 401.94458 180.0
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

patents stripe