CID 6454571

Einecs 264-077-4

Structural Information

Molecular Formula
C16H8F27O5P
SMILES
C(C(COP(=O)(O)O)O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H8F27O5P/c17-4(18,1-3(44)2-48-49(45,46)47)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(19,15(38,39)40)16(41,42)43/h3,44H,1-2H2,(H2,45,46,47)
InChIKey
NZFUNOLSROCOSD-UHFFFAOYSA-N
Compound name
[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

823.96783 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.97511 152.6
[M+Na]+ 846.95705 152.6
[M+NH4]+ 842.00165 152.6
[M+K]+ 862.93099 152.6
[M-H]- 822.96055 152.6
[M+Na-2H]- 844.94250 152.6
[M]+ 823.96728 152.6
[M]- 823.96838 152.6
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.