CID 533797

40137-11-9

Structural Information

Molecular Formula
C6H15O5PS
SMILES
CCOP(=O)(CS(=O)(=O)C)OCC
InChI
InChI=1S/C6H15O5PS/c1-4-10-12(7,11-5-2)6-13(3,8)9/h4-6H2,1-3H3
InChIKey
DFCKGLGTOXDULU-UHFFFAOYSA-N
Compound name
1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

230.03778 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04506 146.6
[M+Na]+ 253.02700 154.2
[M-H]- 229.03050 146.1
[M+NH4]+ 248.07160 165.7
[M+K]+ 269.00094 154.0
[M+H-H2O]+ 213.03504 139.6
[M+HCOO]- 275.03598 169.2
[M+CH3COO]- 289.05163 186.0
[M+Na-2H]- 251.01245 149.4
[M]+ 230.03723 155.4
[M]- 230.03833 155.4
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.