CID 99641222

1-(perfluorohexyl)sulfonylaminopyridinium

Structural Information

Molecular Formula
C11H6F13N2O2S
SMILES
C1=CC=[N+](C=C1)NS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F13N2O2S/c12-6(13,8(16,17)10(20,21)22)7(14,15)9(18,19)11(23,24)29(27,28)25-26-4-2-1-3-5-26/h1-5,25H/q+1
InChIKey
MIWIUSUEFHOJJL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-pyridin-1-ium-1-ylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.99423 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.00151 174.9
[M+Na]+ 499.98345 175.0
[M+NH4]+ 495.02805 174.1
[M+K]+ 515.95739 174.2
[M-H]- 475.98695 170.8
[M+Na-2H]- 497.96890 174.0
[M]+ 476.99368 173.6
[M]- 476.99478 173.6
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.