CID 77098499

O-ethyl o-methyl s-propyl phosphorothioate

Structural Information

Molecular Formula
C6H15O3PS
SMILES
CCCSP(=O)(OC)OCC
InChI
InChI=1S/C6H15O3PS/c1-4-6-11-10(7,8-3)9-5-2/h4-6H2,1-3H3
InChIKey
BLMDNYFPFQLYIY-UHFFFAOYSA-N
Compound name
1-[ethoxy(methoxy)phosphoryl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

198.04796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05524 142.3
[M+Na]+ 221.03718 149.5
[M-H]- 197.04068 141.7
[M+NH4]+ 216.08178 162.9
[M+K]+ 237.01112 149.1
[M+H-H2O]+ 181.04522 135.1
[M+HCOO]- 243.04616 165.6
[M+CH3COO]- 257.06181 183.4
[M+Na-2H]- 219.02263 143.3
[M]+ 198.04741 150.2
[M]- 198.04851 150.2
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.