CID 111907

3-(perfluoropentanesulfonamido)-n,n,n-trimethylpropan-1-aminium

Structural Information

Molecular Formula
C11H16F11N2O2S
SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H16F11N2O2S/c1-24(2,3)6-4-5-23-27(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h23H,4-6H2,1-3H3/q+1
InChIKey
CFFXMGKYQIYDHJ-UHFFFAOYSA-N
Compound name
trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

449.07568 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.08296 188.2
[M+Na]+ 472.06490 194.7
[M-H]- 448.06840 194.8
[M+NH4]+ 467.10950 195.3
[M+K]+ 488.03884 196.7
[M+H-H2O]+ 432.07294 173.3
[M+HCOO]- 494.07388 210.5
[M+CH3COO]- 508.08953 226.4
[M+Na-2H]- 470.05035 183.3
[M]+ 449.07513 187.1
[M]- 449.07623 187.1
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.