CID 67922

N-allylheptadecafluorooctanesulphonamide

Structural Information

Molecular Formula
C11H6F17NO2S
SMILES
C=CCNS(=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/C11H6F17NO2S/c1-2-3-29-32(30,31)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2,29H,1,3H2
InChIKey
QDPPBTYBIPLUFD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-prop-2-enyloctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

538.9848 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.99208 164.4
[M+Na]+ 561.97402 164.3
[M+NH4]+ 557.01862 164.1
[M+K]+ 577.94796 164.5
[M-H]- 537.97752 162.9
[M+Na-2H]- 559.95947 164.4
[M]+ 538.98425 163.9
[M]- 538.98535 163.9
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