CID 6335850

Phosphonic acid, di-9-octadecenyl ester

Structural Information

Molecular Formula
C36H70O3P
SMILES
CCCCCCCCC=CCCCCCCCCO[P+](=O)OCCCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C36H70O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/q+1
InChIKey
HBUROESZWYWHFQ-UHFFFAOYSA-N
Compound name
bis(octadec-9-enoxy)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

136
Patents

581.5063 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.51358 252.8
[M+Na]+ 604.49552 232.1
[M+NH4]+ 599.54012 230.6
[M+K]+ 620.46946 229.3
[M-H]- 580.49902 212.7
[M+Na-2H]- 602.48097 230.5
[M]+ 581.50575 225.7
[M]- 581.50685 225.7
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

patents stripe