CID 6446661

Phosphonic acid, 1-octenyl-, dioctyl ester

Structural Information

Molecular Formula
C24H49O3P
SMILES
CCCCCCCCOP(=O)(/C=C/CCCCCC)OCCCCCCCC
InChI
InChI=1S/C24H49O3P/c1-4-7-10-13-16-19-22-26-28(25,24-21-18-15-12-9-6-3)27-23-20-17-14-11-8-5-2/h21,24H,4-20,22-23H2,1-3H3/b24-21+
InChIKey
DHKKPZMPGSORTG-DARPEHSRSA-N
Compound name
1-[[(E)-oct-1-enyl]-octoxyphosphoryl]oxyoctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.34192 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.34920 220.8
[M+Na]+ 439.33114 218.6
[M-H]- 415.33464 199.0
[M+NH4]+ 434.37574 212.8
[M+K]+ 455.30508 216.6
[M+H-H2O]+ 399.33918 210.8
[M+HCOO]- 461.34012 229.0
[M+CH3COO]- 475.35577 232.0
[M+Na-2H]- 437.31659 215.6
[M]+ 416.34137 212.7
[M]- 416.34247 212.7
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.