CID 214723

O-ethyl s-ethylthiomethyl methylphosphonothiolate

Structural Information

Molecular Formula
C6H15O2PS2
SMILES
CCOP(=O)(C)SCSCC
InChI
InChI=1S/C6H15O2PS2/c1-4-8-9(3,7)11-6-10-5-2/h4-6H2,1-3H3
InChIKey
HFUVROQADZNLMZ-UHFFFAOYSA-N
Compound name
1-[ethylsulfanylmethylsulfanyl(methyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.02512 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03240 144.4
[M+Na]+ 237.01434 152.4
[M+NH4]+ 232.05894 152.0
[M+K]+ 252.98828 144.1
[M-H]- 213.01784 143.1
[M+Na-2H]- 234.99979 145.5
[M]+ 214.02457 145.9
[M]- 214.02567 145.9
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.