CID 89979

O,o-diethyl o-2-ethylthioethyl phosphate

Structural Information

Molecular Formula
C8H19O4PS
SMILES
CCOP(=O)(OCC)OCCSCC
InChI
InChI=1S/C8H19O4PS/c1-4-10-13(9,11-5-2)12-7-8-14-6-3/h4-8H2,1-3H3
InChIKey
NMQDGOQOOUKIGM-UHFFFAOYSA-N
Compound name
diethyl 2-ethylsulfanylethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07417 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08145 154.1
[M+Na]+ 265.06339 161.5
[M+NH4]+ 260.10799 160.0
[M+K]+ 281.03733 155.5
[M-H]- 241.06689 151.4
[M+Na-2H]- 263.04884 154.8
[M]+ 242.07362 154.5
[M]- 242.07472 154.5
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.