CID 138396237

2-[[(heptadecafluorooctyl)sulfonyl]amino]-n,n,n-trimethyl-1-propanaminium iodide

Structural Information

Molecular Formula
C14H16F17N2O2S
SMILES
CC(C[N+](C)(C)C)NS(=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/C14H16F17N2O2S/c1-6(5-33(2,3)4)32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h6,32H,5H2,1-4H3/q+1
InChIKey
ATTCMMXGKYDVFZ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

599.0661 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.07338 209.8
[M+Na]+ 622.05532 214.7
[M-H]- 598.05882 222.0
[M+NH4]+ 617.09992 221.3
[M+K]+ 638.02926 223.5
[M+H-H2O]+ 582.06336 192.5
[M+HCOO]- 644.06430 228.4
[M+CH3COO]- 658.07995 250.1
[M+Na-2H]- 620.04077 206.0
[M]+ 599.06555 208.2
[M]- 599.06665 208.2
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.