CID 73557312

151911-65-8

Structural Information

Molecular Formula
C26H56O7P2
SMILES
CC(C)CCCCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C26H56O7P2/c1-25(2)21-17-13-9-5-7-11-15-19-23-31-34(27,28)33-35(29,30)32-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3,(H,27,28)(H,29,30)
InChIKey
GBMYDHWUQJCMAN-UHFFFAOYSA-N
Compound name
[hydroxy(11-methyldodecoxy)phosphoryl] 11-methyldodecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.3501 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.35738 233.6
[M+Na]+ 565.33932 235.6
[M+NH4]+ 560.38392 239.1
[M+K]+ 581.31326 233.2
[M-H]- 541.34282 223.7
[M+Na-2H]- 563.32477 235.9
[M]+ 542.34955 231.6
[M]- 542.35065 231.6
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.