CID 87566

Stauffer n-3735

Structural Information

Molecular Formula
C8H20O2P2S5
SMILES
CCP(=S)(OC)SCSCSP(=S)(CC)OC
InChI
InChI=1S/C8H20O2P2S5/c1-5-11(13,9-3)16-7-15-8-17-12(14,6-2)10-4/h5-8H2,1-4H3
InChIKey
IPDFCGAQJIOBPK-UHFFFAOYSA-N
Compound name
ethyl-[[ethyl(methoxy)phosphinothioyl]sulfanylmethylsulfanylmethylsulfanyl]-methoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.95422 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.96150 174.8
[M+Na]+ 392.94344 177.8
[M-H]- 368.94694 168.6
[M+NH4]+ 387.98804 185.7
[M+K]+ 408.91738 167.1
[M+H-H2O]+ 352.95148 161.2
[M+HCOO]- 414.95242 178.7
[M+CH3COO]- 428.96807 215.1
[M+Na-2H]- 390.92889 171.1
[M]+ 369.95367 171.5
[M]- 369.95477 171.5
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.