CID 138395002

Perfluorononane sulfonamido ammonium iodide

Structural Information

Molecular Formula
C15H16F19N2OS
SMILES
C[N+](C)(C)CCCNS(=O)C(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)(F)F
InChI
InChI=1S/C15H16F19N2OS/c1-36(2,3)6-4-5-35-38(37)15(33,34)13(28,29)11(24,25)9(20,21)7(16,17)8(18,19)10(22,23)12(26,27)14(30,31)32/h35H,4-6H2,1-3H3/q+1
InChIKey
IEIYQVSGMNXXNU-UHFFFAOYSA-N
Compound name
trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononylsulfinylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

633.068 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.07528 217.6
[M+Na]+ 656.05722 221.9
[M-H]- 632.06072 227.9
[M+NH4]+ 651.10182 227.9
[M+K]+ 672.03116 231.8
[M+H-H2O]+ 616.06526 200.4
[M+HCOO]- 678.06620 234.6
[M+CH3COO]- 692.08185 256.0
[M+Na-2H]- 654.04267 213.4
[M]+ 633.06745 214.3
[M]- 633.06855 214.3
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.