CID 13583776

O-methyl s-isopropylthiomethyl methylphosphonothiolate

Structural Information

Molecular Formula
C6H15O2PS2
SMILES
CC(C)SCSP(=O)(C)OC
InChI
InChI=1S/C6H15O2PS2/c1-6(2)10-5-11-9(4,7)8-3/h6H,5H2,1-4H3
InChIKey
JDIWWKLALRGNJB-UHFFFAOYSA-N
Compound name
2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.02512 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.032396 142.1
[M+Na]+ 237.014338 148.6
[M-H]- 213.017844 141.2
[M+NH4]+ 232.058943 161.9
[M+K]+ 252.988278 146.7
[M+H-H2O]+ 197.022380 134.4
[M+HCOO]- 259.023321 158.4
[M+CH3COO]- 273.038971 187.0
[M+Na-2H]- 234.999786 139.8
[M]+ 214.02457142 148.1
[M]- 214.02566858 148.1
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.