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]+ 215.03240 142.1
[M+Na]+ 237.01434 148.6
[M-H]- 213.01784 141.2
[M+NH4]+ 232.05894 161.9
[M+K]+ 252.98828 146.7
[M+H-H2O]+ 197.02238 134.4
[M+HCOO]- 259.02332 158.4
[M+CH3COO]- 273.03897 187.0
[M+Na-2H]- 234.99979 139.8
[M]+ 214.02457 148.1
[M]- 214.02567 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.