CID 70658

1081-95-4

Structural Information

Molecular Formula
C9H19O3PS3
SMILES
CCOP(=O)(OCC)SCC1(SCCS1)C
InChI
InChI=1S/C9H19O3PS3/c1-4-11-13(10,12-5-2)16-8-9(3)14-6-7-15-9/h4-8H2,1-3H3
InChIKey
APVJSTCJOJGSPI-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethyl)-2-methyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0234 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03068 159.0
[M+Na]+ 325.01262 164.3
[M+NH4]+ 320.05722 167.7
[M+K]+ 340.98656 155.2
[M-H]- 301.01612 158.5
[M+Na-2H]- 322.99807 161.0
[M]+ 302.02285 160.9
[M]- 302.02395 160.9
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.