CID 74962

Trioctadecyl phosphate

Structural Information

Molecular Formula
C54H111O4P
SMILES
CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H111O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-59(55,57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChIKey
FDGZUBKNYGBWHI-UHFFFAOYSA-N
Compound name
trioctadecyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5379
Patents

854.822 Da
Monoisotopic Mass

26.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 855.82928 319.0
[M+Na]+ 877.81122 318.0
[M-H]- 853.81472 293.2
[M+NH4]+ 872.85582 318.6
[M+K]+ 893.78516 327.1
[M+H-H2O]+ 837.81926 307.7
[M+HCOO]- 899.82020 323.0
[M+CH3COO]- 913.83585 317.1
[M+Na-2H]- 875.79667 291.6
[M]+ 854.82145 318.6
[M]- 854.82255 318.6
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