CID 17424

Phorate sulfoxide

Structural Information

Molecular Formula
C7H17O3PS3
SMILES
CCOP(=S)(OCC)SCS(=O)CC
InChI
InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
InChIKey
XRQHTUDGPWMPKX-UHFFFAOYSA-N
Compound name
diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

71
Patents

276.00775 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01503 153.4
[M+Na]+ 298.99697 158.6
[M-H]- 275.00047 151.2
[M+NH4]+ 294.04157 169.8
[M+K]+ 314.97091 154.0
[M+H-H2O]+ 259.00501 144.5
[M+HCOO]- 321.00595 163.8
[M+CH3COO]- 335.02160 196.4
[M+Na-2H]- 296.98242 150.1
[M]+ 276.00720 158.8
[M]- 276.00830 158.8
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.