CID 90656

Einecs 246-533-4

Structural Information

Molecular Formula
C13H10F17NO2S
SMILES
CCN(CC=C)S(=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/C13H10F17NO2S/c1-3-5-31(4-2)34(32,33)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h3H,1,4-5H2,2H3
InChIKey
ALIDKXPAUJUDJU-UHFFFAOYSA-N
Compound name
N-ethyl-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
3
Annotation Hits

0
References

2
Patents

567.01605 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.02333 186.4
[M+Na]+ 590.00527 192.5
[M-H]- 566.00877 195.6
[M+NH4]+ 585.04987 198.8
[M+K]+ 605.97921 201.9
[M+H-H2O]+ 550.01331 175.1
[M+HCOO]- 612.01425 204.9
[M+CH3COO]- 626.02990 248.9
[M+Na-2H]- 587.99072 184.9
[M]+ 567.01550 187.0
[M]- 567.01660 187.0
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