CID 6367253

Dieicosyl phosphite

Structural Information

Molecular Formula
C40H82O3P
SMILES
CCCCCCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H82O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-44(41)43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3/q+1
InChIKey
CIBKDFOCUKQUGT-UHFFFAOYSA-N
Compound name
di(icosoxy)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

641.60016 Da
Monoisotopic Mass

19.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.60744 278.8
[M+Na]+ 664.58938 280.2
[M-H]- 640.59288 257.6
[M+NH4]+ 659.63398 277.4
[M+K]+ 680.56332 280.7
[M+H-H2O]+ 624.59742 266.6
[M+HCOO]- 686.59836 287.8
[M+CH3COO]- 700.61401 272.5
[M+Na-2H]- 662.57483 256.8
[M]+ 641.59961 274.6
[M]- 641.60071 274.6
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