CID 104103

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

Structural Information

Molecular Formula
C12H16F13N2O2S
SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H16F13N2O2S/c1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h26H,4-6H2,1-3H3/q+1
InChIKey
OWBYGXNKMFLAMD-UHFFFAOYSA-N
Compound name
trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

499.07248 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.07976 163.6
[M+Na]+ 522.06170 164.2
[M+NH4]+ 517.10630 164.6
[M+K]+ 538.03564 164.8
[M-H]- 498.06520 163.3
[M+Na-2H]- 520.04715 162.9
[M]+ 499.07193 163.8
[M]- 499.07303 163.8
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.