CID 92541

Tricetyl phosphate

Structural Information

Molecular Formula
C48H99O4P
SMILES
CCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C48H99O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50-53(49,51-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)52-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3
InChIKey
KENFVQBKAYNBKN-UHFFFAOYSA-N
Compound name
trihexadecyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7909
Patents

770.7281 Da
Monoisotopic Mass

22.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.73538 300.4
[M+Na]+ 793.71732 300.5
[M-H]- 769.72082 276.9
[M+NH4]+ 788.76192 300.1
[M+K]+ 809.69126 307.1
[M+H-H2O]+ 753.72536 289.6
[M+HCOO]- 815.72630 306.5
[M+CH3COO]- 829.74195 301.8
[M+Na-2H]- 791.70277 275.3
[M]+ 770.72755 299.6
[M]- 770.72865 299.6
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