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
2
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 233.2
[M+Na]+ 565.33932 234.0
[M-H]- 541.34282 224.8
[M+NH4]+ 560.38392 236.3
[M+K]+ 581.31326 232.5
[M+H-H2O]+ 525.34736 215.5
[M+HCOO]- 587.34830 241.3
[M+CH3COO]- 601.36395 249.6
[M+Na-2H]- 563.32477 214.1
[M]+ 542.34955 230.7
[M]- 542.35065 230.7
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.