CID 89980

Phosphoric acid, diethyl 2-(ethylsulfonyl)ethyl ester

Structural Information

Molecular Formula
C8H19O6PS
SMILES
CCOP(=O)(OCC)OCCS(=O)(=O)CC
InChI
InChI=1S/C8H19O6PS/c1-4-12-15(9,13-5-2)14-7-8-16(10,11)6-3/h4-8H2,1-3H3
InChIKey
DMXHOHFXJJHSFV-UHFFFAOYSA-N
Compound name
diethyl 2-ethylsulfonylethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.064 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07128 158.3
[M+Na]+ 297.05322 164.8
[M-H]- 273.05672 157.3
[M+NH4]+ 292.09782 175.5
[M+K]+ 313.02716 164.7
[M+H-H2O]+ 257.06126 150.7
[M+HCOO]- 319.06220 180.5
[M+CH3COO]- 333.07785 194.1
[M+Na-2H]- 295.03867 160.6
[M]+ 274.06345 169.2
[M]- 274.06455 169.2
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.