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 159.7
[M+Na]+ 325.01262 165.1
[M-H]- 301.01612 160.2
[M+NH4]+ 320.05722 178.9
[M+K]+ 340.98656 161.6
[M+H-H2O]+ 285.02066 152.6
[M+HCOO]- 347.02160 170.7
[M+CH3COO]- 361.03725 198.0
[M+Na-2H]- 322.99807 158.1
[M]+ 302.02285 164.0
[M]- 302.02395 164.0
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.