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
2
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 182.4
[M+Na]+ 499.98345 190.5
[M-H]- 475.98695 170.2
[M+NH4]+ 495.02805 187.7
[M+K]+ 515.95739 180.7
[M+H-H2O]+ 459.99149 168.9
[M+HCOO]- 521.99243 177.7
[M+CH3COO]- 536.00808 223.2
[M+Na-2H]- 497.96890 191.2
[M]+ 476.99368 163.2
[M]- 476.99478 163.2
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.