CID 116551

Ditetracosyl phosphate

Structural Information

Molecular Formula
C48H99O4P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C48H99O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-53(49,50)52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3,(H,49,50)
InChIKey
RPRUHWCHAVRXTJ-UHFFFAOYSA-N
Compound name
ditetracosyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

770.7281 Da
Monoisotopic Mass

23.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.73538 298.7
[M+Na]+ 793.71732 297.8
[M-H]- 769.72082 274.8
[M+NH4]+ 788.76192 296.1
[M+K]+ 809.69126 304.4
[M+H-H2O]+ 753.72536 286.7
[M+HCOO]- 815.72630 303.1
[M+CH3COO]- 829.74195 299.4
[M+Na-2H]- 791.70277 272.9
[M]+ 770.72755 296.7
[M]- 770.72865 296.7
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