CID 107351

4915-25-7

Structural Information

Molecular Formula
C8H16ClO5PS2
SMILES
CCOP(=O)(OCC)SC1CCS(=O)(=O)C1Cl
InChI
InChI=1S/C8H16ClO5PS2/c1-3-13-15(10,14-4-2)16-7-5-6-17(11,12)8(7)9/h7-8H,3-6H2,1-2H3
InChIKey
PRKRQRXWOZRDGG-UHFFFAOYSA-N
Compound name
2-chloro-3-diethoxyphosphorylsulfanylthiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.98654 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.99382 157.4
[M+Na]+ 344.97576 165.6
[M-H]- 320.97926 160.1
[M+NH4]+ 340.02036 177.5
[M+K]+ 360.94970 162.3
[M+H-H2O]+ 304.98380 152.6
[M+HCOO]- 366.98474 170.8
[M+CH3COO]- 381.00039 198.0
[M+Na-2H]- 342.96121 156.8
[M]+ 321.98599 166.2
[M]- 321.98709 166.2
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.