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]+ 467.31322 217.5
[M+Na]+ 489.29516 220.2
[M-H]- 465.29866 208.8
[M+NH4]+ 484.33976 219.1
[M+K]+ 505.26910 216.7
[M+H-H2O]+ 449.30320 208.9
[M+HCOO]- 511.30414 225.9
[M+CH3COO]- 525.31979 233.6
[M+Na-2H]- 487.28061 202.2
[M]+ 466.30539 215.5
[M]- 466.30649 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.