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]+ 600.073376 209.8
[M+Na]+ 622.055318 214.7
[M-H]- 598.058824 222.0
[M+NH4]+ 617.099923 221.3
[M+K]+ 638.029258 223.5
[M+H-H2O]+ 582.063360 192.5
[M+HCOO]- 644.064301 228.4
[M+CH3COO]- 658.079951 250.1
[M+Na-2H]- 620.040766 206.0
[M]+ 599.06555142 208.2
[M]- 599.06664858 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.