CID 6534

Diethyl ethylphosphonate

Structural Information

Molecular Formula
C6H15O3P
SMILES
CCOP(=O)(CC)OCC
InChI
InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3
InChIKey
AATNZNJRDOVKDD-UHFFFAOYSA-N
Compound name
1-[ethoxy(ethyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

5178
Patents

166.07588 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.083156 138.2
[M+Na]+ 189.065098 145.7
[M-H]- 165.068604 137.5
[M+NH4]+ 184.109703 159.7
[M+K]+ 205.039038 146.4
[M+H-H2O]+ 149.073140 131.7
[M+HCOO]- 211.074081 166.5
[M+CH3COO]- 225.089731 179.6
[M+Na-2H]- 187.050546 142.4
[M]+ 166.07533142 144.5
[M]- 166.07642858 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe