CID 162396592

Dtxsid701032469

Structural Information

Molecular Formula
C28H19F42N2O8PS2
SMILES
CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)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(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C28H19F42N2O8PS2/c1-3-71(82(75,76)27(67,68)23(57,58)19(49,50)15(41,42)11(33,34)9(29,30)13(37,38)17(45,46)21(53,54)25(61,62)63)5-7-79-81(73,74)80-8-6-72(4-2)83(77,78)28(69,70)24(59,60)20(51,52)16(43,44)12(35,36)10(31,32)14(39,40)18(47,48)22(55,56)26(64,65)66/h3-8H2,1-2H3,(H,73,74)
InChIKey
PKNXYWCLSVQSFV-UHFFFAOYSA-N
Compound name
bis[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylsulfonyl)amino]ethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1403.965 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1404.9723 322.1
[M+Na]+ 1426.9542 321.4
[M-H]- 1402.9577 336.9
[M+NH4]+ 1421.9988 333.6
[M+K]+ 1442.9282 334.7
[M+H-H2O]+ 1386.9623 309.3
[M+HCOO]- 1448.9632 327.8
[M+CH3COO]- 1462.9789 283.3
[M+Na-2H]- 1424.9397 320.3
[M]+ 1403.9645 318.0
[M]- 1403.9655 318.0
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.