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]+ 292.98741 164.0
[M+Na]+ 314.96935 169.8
[M-H]- 290.97285 162.5
[M+NH4]+ 310.01395 182.9
[M+K]+ 330.94329 168.6
[M+H-H2O]+ 274.97739 155.7
[M+HCOO]- 336.97833 186.0
[M+CH3COO]- 350.99398 191.8
[M+Na-2H]- 312.95480 162.8
[M]+ 291.97958 172.7
[M]- 291.98068 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.