CID 3085473

71463-81-5

Structural Information

Molecular Formula
C16H21F15NO5PS
SMILES
CCN(CCCP(=O)(OCC)OCC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H21F15NO5PS/c1-4-32(8-7-9-38(33,36-5-2)37-6-3)39(34,35)16(30,31)14(25,26)12(21,22)10(17,18)11(19,20)13(23,24)15(27,28)29/h4-9H2,1-3H3
InChIKey
TZKLRKQCIBXVQE-UHFFFAOYSA-N
Compound name
N-(3-diethoxyphosphorylpropyl)-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

655.06384 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 656.07112 159.3
[M+Na]+ 678.05306 159.5
[M+NH4]+ 673.09766 159.8
[M+K]+ 694.02700 159.9
[M-H]- 654.05656 159.2
[M+Na-2H]- 676.03851 159.0
[M]+ 655.06329 159.5
[M]- 655.06439 159.5
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.