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
3
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 351.5
[M+Na]+ 1629.9770 350.9
[M-H]- 1605.9805 365.4
[M+NH4]+ 1625.0216 362.1
[M+K]+ 1645.9510 362.2
[M+H-H2O]+ 1589.9851 340.9
[M+HCOO]- 1651.9860 354.8
[M+CH3COO]- 1666.0017 281.5
[M+Na-2H]- 1627.9625 348.7
[M]+ 1606.9873 346.9
[M]- 1606.9883 346.9
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.