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 142.2
[M+Na]+ 237.01434 149.0
[M-H]- 213.01784 141.2
[M+NH4]+ 232.05894 162.1
[M+K]+ 252.98828 146.6
[M+H-H2O]+ 197.02238 134.4
[M+HCOO]- 259.02332 159.6
[M+CH3COO]- 273.03897 186.3
[M+Na-2H]- 234.99979 140.8
[M]+ 214.02457 148.8
[M]- 214.02567 148.8
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.