CID 17425

Phorate sulfone

Structural Information

Molecular Formula
C7H17O4PS3
SMILES
CCOP(=S)(OCC)SCS(=O)(=O)CC
InChI
InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3
InChIKey
YVPSNUIHHFTTRL-UHFFFAOYSA-N
Compound name
diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

54
Patents

292.00266 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00994 159.4
[M+Na]+ 314.99188 165.1
[M-H]- 290.99538 157.2
[M+NH4]+ 310.03648 175.1
[M+K]+ 330.96582 160.2
[M+H-H2O]+ 274.99992 150.6
[M+HCOO]- 337.00086 170.0
[M+CH3COO]- 351.01651 197.1
[M+Na-2H]- 312.97733 158.4
[M]+ 292.00211 165.4
[M]- 292.00321 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.