CID 21149723

93803-06-6

Structural Information

Molecular Formula
C16H20F17N2O2S
SMILES
CC[N+](C)(CC)CCCNS(=O)(=O)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
InChI
InChI=1S/C16H20F17N2O2S/c1-4-35(3,5-2)8-6-7-34-38(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h34H,4-8H2,1-3H3/q+1
InChIKey
CPTUZUAAAMSTQW-UHFFFAOYSA-N
Compound name
diethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

627.0974 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.10468 214.7
[M+Na]+ 650.08662 218.8
[M-H]- 626.09012 225.0
[M+NH4]+ 645.13122 224.9
[M+K]+ 666.06056 227.9
[M+H-H2O]+ 610.09466 196.6
[M+HCOO]- 672.09560 234.6
[M+CH3COO]- 686.11125 254.4
[M+Na-2H]- 648.07207 209.7
[M]+ 627.09685 212.9
[M]- 627.09795 212.9
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.