CID 14252177

Dtxsid901033075

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
2
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 204.0
[M+Na]+ 608.03972 208.6
[M-H]- 584.04322 215.2
[M+NH4]+ 603.08432 214.3
[M+K]+ 624.01366 216.7
[M+H-H2O]+ 568.04776 186.3
[M+HCOO]- 630.04870 224.9
[M+CH3COO]- 644.06435 247.4
[M+Na-2H]- 606.02517 200.3
[M]+ 585.04995 202.4
[M]- 585.05105 202.4
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.