CID 13652276

Dioleyl phosphonate

Structural Information

Molecular Formula
C36H70O3P
SMILES
CCCCCCCC/C=C\CCCCCCCCO[P+](=O)OCCCCCCCC/C=C\CCCCCCCC
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/b19-17-,20-18-
InChIKey
HBUROESZWYWHFQ-CLFAGFIQSA-N
Compound name
bis[(Z)-octadec-9-enoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

208
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 259.8
[M+Na]+ 604.49552 263.2
[M-H]- 580.49902 241.8
[M+NH4]+ 599.54012 259.2
[M+K]+ 620.46946 261.1
[M+H-H2O]+ 564.50356 248.2
[M+HCOO]- 626.50450 272.0
[M+CH3COO]- 640.52015 258.4
[M+Na-2H]- 602.48097 240.7
[M]+ 581.50575 255.5
[M]- 581.50685 255.5
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