CID 109964

68298-09-9

Structural Information

Molecular Formula
C13H8F13NO2S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F13NO2S/c14-8(15,10(18,19)12(22,23)24)9(16,17)11(20,21)13(25,26)30(28,29)27-6-7-4-2-1-3-5-7/h1-5,27H,6H2
InChIKey
ZEIOJAPXFDPENM-UHFFFAOYSA-N
Compound name
N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.0068 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.01408 180.7
[M+Na]+ 511.99602 180.5
[M+NH4]+ 507.04062 179.7
[M+K]+ 527.96996 179.3
[M-H]- 487.99952 176.4
[M+Na-2H]- 509.98147 179.3
[M]+ 489.00625 179.3
[M]- 489.00735 179.3
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.