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
3
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 194.3
[M+Na]+ 522.06170 200.1
[M-H]- 498.06520 202.5
[M+NH4]+ 517.10630 202.6
[M+K]+ 538.03564 204.5
[M+H-H2O]+ 482.06974 178.3
[M+HCOO]- 544.07068 216.1
[M+CH3COO]- 558.08633 234.8
[M+Na-2H]- 520.04715 189.6
[M]+ 499.07193 193.0
[M]- 499.07303 193.0
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.