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]+ 201.016736 137.8
[M+Na]+ 222.998678 145.0
[M-H]- 199.002184 137.0
[M+NH4]+ 218.043283 158.2
[M+K]+ 238.972618 142.9
[M+H-H2O]+ 183.006720 130.2
[M+HCOO]- 245.007661 155.5
[M+CH3COO]- 259.023311 183.4
[M+Na-2H]- 220.984126 136.8
[M]+ 200.00891142 144.0
[M]- 200.01000858 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.