CID 106182

67939-61-1

Structural Information

Molecular Formula
C15H16F13NO4S
SMILES
CC(=C)C(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H16F13NO4S/c1-8(2)9(30)33-7-5-4-6-29(3)34(31,32)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h1,4-7H2,2-3H3
InChIKey
KKCCHFWHAXJXIQ-UHFFFAOYSA-N
Compound name
4-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]butyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.05927 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.06655 163.7
[M+Na]+ 576.04849 164.4
[M+NH4]+ 571.09309 164.8
[M+K]+ 592.02243 165.1
[M-H]- 552.05199 182.6
[M+Na-2H]- 574.03394 185.0
[M]+ 553.05872 164.0
[M]- 553.05982 164.0
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

No patent data available for this compound.