CID 168019

S,s-diethyl o-methyl phosphorodithioate

Structural Information

Molecular Formula
C5H13O2PS2
SMILES
CCSP(=O)(OC)SCC
InChI
InChI=1S/C5H13O2PS2/c1-4-9-8(6,7-3)10-5-2/h4-5H2,1-3H3
InChIKey
QSIMWFOYBFACSK-UHFFFAOYSA-N
Compound name
1-[ethylsulfanyl(methoxy)phosphoryl]sulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.00946 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01674 137.8
[M+Na]+ 222.99868 145.0
[M-H]- 199.00218 137.0
[M+NH4]+ 218.04328 158.2
[M+K]+ 238.97262 142.9
[M+H-H2O]+ 183.00672 130.2
[M+HCOO]- 245.00766 155.5
[M+CH3COO]- 259.02331 183.4
[M+Na-2H]- 220.98413 136.8
[M]+ 200.00891 144.0
[M]- 200.01001 144.0
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.