CID 21358

Demeton-o sulfoxide

Structural Information

Molecular Formula
C8H19O4PS2
SMILES
CCOP(=S)(OCC)OCCS(=O)CC
InChI
InChI=1S/C8H19O4PS2/c1-4-10-13(14,11-5-2)12-7-8-15(9)6-3/h4-8H2,1-3H3
InChIKey
HTXJPMPQYXHDOR-UHFFFAOYSA-N
Compound name
diethoxy-(2-ethylsulfinylethoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04623 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05351 158.5
[M+Na]+ 297.03545 164.8
[M+NH4]+ 292.08005 164.2
[M+K]+ 313.00939 157.8
[M-H]- 273.03895 155.5
[M+Na-2H]- 295.02090 157.9
[M]+ 274.04568 159.1
[M]- 274.04678 159.1
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.