CID 163169

67939-94-0

Structural Information

Molecular Formula
C33H27F45N3O10PS3
SMILES
CCN(CCOP(=O)(OCCN(CC)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)OCCN(CC)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)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/C33H27F45N3O10PS3/c1-4-79(93(83,84)31(73,74)25(58,59)19(46,47)13(34,35)16(40,41)22(52,53)28(64,65)66)7-10-89-92(82,90-11-8-80(5-2)94(85,86)32(75,76)26(60,61)20(48,49)14(36,37)17(42,43)23(54,55)29(67,68)69)91-12-9-81(6-3)95(87,88)33(77,78)27(62,63)21(50,51)15(38,39)18(44,45)24(56,57)30(70,71)72/h4-12H2,1-3H3
InChIKey
DPBVCOWHHLIHJN-UHFFFAOYSA-N
Compound name
tris[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl] phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1606.9878 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1607.9951 152.5
[M+Na]+ 1629.9770 152.5
[M+NH4]+ 1625.0216 152.5
[M+K]+ 1645.9510 152.5
[M-H]- 1605.9805 152.5
[M+Na-2H]- 1627.9625 152.5
[M]+ 1606.9873 152.5
[M]- 1606.9883 152.5
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.