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]+ 1404.972276 322.1
[M+Na]+ 1426.954218 321.4
[M-H]- 1402.957724 336.9
[M+NH4]+ 1421.998823 333.6
[M+K]+ 1442.928158 334.7
[M+H-H2O]+ 1386.962260 309.3
[M+HCOO]- 1448.963201 327.8
[M+CH3COO]- 1462.978851 283.3
[M+Na-2H]- 1424.939666 320.3
[M]+ 1403.96445142 318.0
[M]- 1403.96554858 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.