CID 3056463

Diethyl tridecylphosphonate

Structural Information

Molecular Formula
C17H37O3P
SMILES
CCCCCCCCCCCCCP(=O)(OCC)OCC
InChI
InChI=1S/C17H37O3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-21(18,19-5-2)20-6-3/h4-17H2,1-3H3
InChIKey
NZFIBMQRGNVRIT-UHFFFAOYSA-N
Compound name
1-diethoxyphosphoryltridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24805 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25533 190.5
[M+Na]+ 343.23727 193.5
[M-H]- 319.24077 187.7
[M+NH4]+ 338.28187 205.8
[M+K]+ 359.21121 191.3
[M+H-H2O]+ 303.24531 181.8
[M+HCOO]- 365.24625 215.2
[M+CH3COO]- 379.26190 212.8
[M+Na-2H]- 341.22272 188.9
[M]+ 320.24750 201.0
[M]- 320.24860 201.0
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.