CID 3088661

Brn 1709232

Structural Information

Molecular Formula
C8H19O3PSSe
SMILES
CCOP(=O)(OCC)[Se]CCSCC
InChI
InChI=1S/C8H19O3PSSe/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKey
CCSIJSIFPQCALX-UHFFFAOYSA-N
Compound name
1-diethoxyphosphorylselanyl-2-ethylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.99576 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00304 168.6
[M+Na]+ 328.98498 174.0
[M-H]- 304.98848 166.9
[M+NH4]+ 324.02958 186.9
[M+K]+ 344.95892 172.6
[M+H-H2O]+ 288.99302 160.1
[M+HCOO]- 350.99396 190.3
[M+CH3COO]- 365.00961 194.8
[M+Na-2H]- 326.97043 166.9
[M]+ 305.99521 177.7
[M]- 305.99631 177.7
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.