CID 109857

68227-99-6

Structural Information

Molecular Formula
C13H14F11NO4S
SMILES
CN(CCCCOC(=O)C=C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H14F11NO4S/c1-3-8(26)29-7-5-4-6-25(2)30(27,28)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h3H,1,4-7H2,2H3
InChIKey
IGHHYZVIDWXKMF-UHFFFAOYSA-N
Compound name
4-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]butyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.04678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.05406 197.9
[M+Na]+ 512.03600 196.9
[M+NH4]+ 507.08060 196.0
[M+K]+ 528.00994 194.9
[M-H]- 488.03950 190.8
[M+Na-2H]- 510.02145 194.1
[M]+ 489.04623 195.5
[M]- 489.04733 195.5
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.