CID 87950237

Bis(3,3,4,4,5,5,6,6,6-nonafluoro-1-hexanol) hydrogen phosphate

Structural Information

Molecular Formula
C12H9F18O4P
SMILES
C(COP(=O)(O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H9F18O4P/c13-5(14,7(17,18)9(21,22)11(25,26)27)1-3-33-35(31,32)34-4-2-6(15,16)8(19,20)10(23,24)12(28,29)30/h1-4H2,(H,31,32)
InChIKey
VWCCNJKABGONRR-UHFFFAOYSA-N
Compound name
bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

589.9951 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.00238 154.3
[M+Na]+ 612.98432 154.4
[M+NH4]+ 608.02892 154.5
[M+K]+ 628.95826 154.5
[M-H]- 588.98782 154.3
[M+Na-2H]- 610.96977 154.2
[M]+ 589.99455 154.4
[M]- 589.99565 154.4
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

patents stripe