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]+ 501.31871 228.2
[M+Na]+ 523.30065 228.2
[M-H]- 499.30415 216.9
[M+NH4]+ 518.34525 227.6
[M+K]+ 539.27459 223.8
[M+H-H2O]+ 483.30869 218.6
[M+HCOO]- 545.30963 240.4
[M+CH3COO]- 559.32528 236.8
[M+Na-2H]- 521.28610 210.0
[M]+ 500.31088 226.3
[M]- 500.31198 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.