CID 109963

68298-08-8

Structural Information

Molecular Formula
C12H8F11NO2S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F11NO2S/c13-8(14,9(15,16)11(19,20)21)10(17,18)12(22,23)27(25,26)24-6-7-4-2-1-3-5-7/h1-5,24H,6H2
InChIKey
RMTNCHPOOXNCQZ-UHFFFAOYSA-N
Compound name
N-benzyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

439.01 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.01728 182.1
[M+Na]+ 461.99922 189.8
[M-H]- 438.00272 172.1
[M+NH4]+ 457.04382 190.5
[M+K]+ 477.97316 184.8
[M+H-H2O]+ 422.00726 167.5
[M+HCOO]- 484.00820 181.5
[M+CH3COO]- 498.02385 224.4
[M+Na-2H]- 459.98467 186.2
[M]+ 439.00945 167.7
[M]- 439.01055 167.7
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.