CID 139595344

3-[[(perfluorohexyl)sulfonyl](methyl)amino]-n,n,n-trimethyl-1-propanaminium

Structural Information

Molecular Formula
C13H18F13N2O2S
SMILES
CN(CCC[N+](C)(C)C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H18F13N2O2S/c1-27(6-5-7-28(2,3)4)31(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h5-7H2,1-4H3/q+1
InChIKey
HYAHDHHGDLTMOV-UHFFFAOYSA-N
Compound name
trimethyl-[3-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.08813 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.09541 164.2
[M+Na]+ 536.07735 164.8
[M+NH4]+ 531.12195 165.2
[M+K]+ 552.05129 165.4
[M-H]- 512.08085 163.9
[M+Na-2H]- 534.06280 163.5
[M]+ 513.08758 164.5
[M]- 513.08868 164.5
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.