CID 474821

Ethyl-batyl-pfa

Structural Information

Molecular Formula
C24H49O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(C(=O)O)O)OCC
InChI
InChI=1S/C24H49O7P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-21-23(30-4-2)22-31-32(27,28)24(25)26/h23H,3-22H2,1-2H3,(H,25,26)(H,27,28)/t23-/m1/s1
InChIKey
PZBHEVLTNNOMKV-HSZRJFAPSA-N
Compound name
[[(2R)-2-ethoxy-3-octadecoxypropoxy]-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

480.3216 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.32888 221.2
[M+Na]+ 503.31082 223.7
[M-H]- 479.31432 212.1
[M+NH4]+ 498.35542 222.7
[M+K]+ 519.28476 220.6
[M+H-H2O]+ 463.31886 212.4
[M+HCOO]- 525.31980 229.2
[M+CH3COO]- 539.33545 236.5
[M+Na-2H]- 501.29627 205.3
[M]+ 480.32105 219.1
[M]- 480.32215 219.1
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

No patent data available for this compound.