CID 73555478

58857-49-1

Structural Information

Molecular Formula
C40H79O6P
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOP(=O)(OCCOCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C40H79O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-37-39-45-47(41,42)46-40-38-44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-40H2,1-2H3,(H,41,42)/b19-17-,20-18-
InChIKey
DJCUMMKIFDRCEB-CLFAGFIQSA-N
Compound name
bis[2-[(Z)-octadec-9-enoxy]ethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

686.5614 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.56868 274.1
[M+Na]+ 709.55062 274.8
[M-H]- 685.55412 256.2
[M+NH4]+ 704.59522 273.7
[M+K]+ 725.52456 276.9
[M+H-H2O]+ 669.55866 263.3
[M+HCOO]- 731.55960 283.1
[M+CH3COO]- 745.57525 278.6
[M+Na-2H]- 707.53607 251.6
[M]+ 686.56085 272.1
[M]- 686.56195 272.1
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