CID 6336657

Phosphonic acid, dihexadecyl ester

Structural Information

Molecular Formula
C32H66O3P
SMILES
CCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H66O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-36(33)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/q+1
InChIKey
IEXRYDPZNWLKLE-UHFFFAOYSA-N
Compound name
dihexadecoxy(oxo)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

497
Patents

529.475 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.48228 250.7
[M+Na]+ 552.46422 253.7
[M-H]- 528.46772 232.6
[M+NH4]+ 547.50882 249.6
[M+K]+ 568.43816 250.9
[M+H-H2O]+ 512.47226 239.5
[M+HCOO]- 574.47320 262.8
[M+CH3COO]- 588.48885 250.1
[M+Na-2H]- 550.44967 232.3
[M]+ 529.47445 247.1
[M]- 529.47555 247.1
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