CID 44147814

71032-96-7

Structural Information

Molecular Formula
C23H49O9P
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C23H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-27-14-15-28-16-17-29-18-19-30-20-21-31-22-23-32-33(24,25)26/h2-23H2,1H3,(H2,24,25,26)
InChIKey
GMYWQBULYQIZRR-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.31143 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.318706 228.2
[M+Na]+ 523.300648 228.2
[M-H]- 499.304154 216.9
[M+NH4]+ 518.345253 227.6
[M+K]+ 539.274588 223.8
[M+H-H2O]+ 483.308690 218.6
[M+HCOO]- 545.309631 240.4
[M+CH3COO]- 559.325281 236.8
[M+Na-2H]- 521.286096 210.0
[M]+ 500.31088142 226.3
[M]- 500.31197858 226.3
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

No patent data available for this compound.