CID 14252177

2-[[(heptadecafluorooctyl)sulfonyl]amino]-n,n,n-trimethylethanaminium iodide

Structural Information

Molecular Formula
C13H14F17N2O2S
SMILES
C[N+](C)(C)CCNS(=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/C13H14F17N2O2S/c1-32(2,3)5-4-31-35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h31H,4-5H2,1-3H3/q+1
InChIKey
KSWBBVLALNYULN-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.0505 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.05778 155.6
[M+Na]+ 608.03972 155.7
[M+NH4]+ 603.08432 155.8
[M+K]+ 624.01366 155.8
[M-H]- 584.04322 155.5
[M+Na-2H]- 606.02517 155.4
[M]+ 585.04995 155.6
[M]- 585.05105 155.6
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.