CID 170860

N-benzylheptadecafluorooctane-1-sulphonamide

Structural Information

Molecular Formula
C15H8F17NO2S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H8F17NO2S/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)36(34,35)33-6-7-4-2-1-3-5-7/h1-5,33H,6H2
InChIKey
GRXIBAUTCQPULC-UHFFFAOYSA-N
Compound name
N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

589.0004 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.00768 163.0
[M+Na]+ 611.98962 163.0
[M+NH4]+ 607.03422 162.8
[M+K]+ 627.96356 163.3
[M-H]- 587.99312 161.6
[M+Na-2H]- 609.97507 163.3
[M]+ 588.99985 162.6
[M]- 589.00095 162.6
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

patents stripe