CID 474820

Methyl-batyl-pfa

Structural Information

Molecular Formula
C23H47O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(C(=O)O)O)OC
InChI
InChI=1S/C23H47O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-20-22(28-2)21-30-31(26,27)23(24)25/h22H,3-21H2,1-2H3,(H,24,25)(H,26,27)/t22-/m1/s1
InChIKey
YFSBOPDLUNNHDV-JOCHJYFZSA-N
Compound name
[hydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

466.30594 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.313216 217.5
[M+Na]+ 489.295158 220.2
[M-H]- 465.298664 208.8
[M+NH4]+ 484.339763 219.1
[M+K]+ 505.269098 216.7
[M+H-H2O]+ 449.303200 208.9
[M+HCOO]- 511.304141 225.9
[M+CH3COO]- 525.319791 233.6
[M+Na-2H]- 487.280606 202.2
[M]+ 466.30539142 215.5
[M]- 466.30648858 215.5
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.