CID 478732

Hdg-pfa

Structural Information

Molecular Formula
C20H41O7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(C(=O)O)O)O
InChI
InChI=1S/C20H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-17-19(21)18-27-28(24,25)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKey
KJTUANKOBKMQQH-LJQANCHMSA-N
Compound name
[[(2R)-3-hexadecoxy-2-hydroxypropoxy]-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.259 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.26628 205.3
[M+Na]+ 447.24822 207.5
[M-H]- 423.25172 197.3
[M+NH4]+ 442.29282 204.6
[M+K]+ 463.22216 202.8
[M+H-H2O]+ 407.25626 195.8
[M+HCOO]- 469.25720 213.2
[M+CH3COO]- 483.27285 222.6
[M+Na-2H]- 445.23367 190.5
[M]+ 424.25845 202.0
[M]- 424.25955 202.0
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.