CID 3088704

Brn 1708503

Structural Information

Molecular Formula
C7H17O3PSSe
SMILES
CCOP(=O)(OCC)[Se]CCSC
InChI
InChI=1S/C7H17O3PSSe/c1-4-9-11(8,10-5-2)13-7-6-12-3/h4-7H2,1-3H3
InChIKey
ODVFHLFSEJHRBM-UHFFFAOYSA-N
Compound name
1-diethoxyphosphorylselanyl-2-methylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.98013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.987406 164.0
[M+Na]+ 314.969348 169.8
[M-H]- 290.972854 162.5
[M+NH4]+ 310.013953 182.9
[M+K]+ 330.943288 168.6
[M+H-H2O]+ 274.977390 155.7
[M+HCOO]- 336.978331 186.0
[M+CH3COO]- 350.993981 191.8
[M+Na-2H]- 312.954796 162.8
[M]+ 291.97958142 172.7
[M]- 291.98067858 172.7
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.