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
2
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 201.7
[M+Na]+ 536.07735 208.6
[M-H]- 512.08085 211.4
[M+NH4]+ 531.12195 213.3
[M+K]+ 552.05129 213.7
[M+H-H2O]+ 496.08539 187.1
[M+HCOO]- 558.08633 222.4
[M+CH3COO]- 572.10198 240.2
[M+Na-2H]- 534.06280 197.5
[M]+ 513.08758 201.4
[M]- 513.08868 201.4
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.