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 156.6
[M+Na]+ 297.03545 162.0
[M-H]- 273.03895 155.1
[M+NH4]+ 292.08005 173.8
[M+K]+ 313.00939 159.8
[M+H-H2O]+ 257.04349 148.2
[M+HCOO]- 319.04443 173.1
[M+CH3COO]- 333.06008 195.9
[M+Na-2H]- 295.02090 154.1
[M]+ 274.04568 165.4
[M]- 274.04678 165.4
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.