CID 173047

68758-55-4

Structural Information

Molecular Formula
C21H12F29NO4S
SMILES
CN(CCOC(=O)C=C)S(=O)(=O)CC(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C21H12F29NO4S/c1-3-7(52)55-5-4-51(2)56(53,54)6-8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)18(42,43)19(44,45)20(46,47)21(48,49)50/h3H,1,4-6H2,2H3
InChIKey
VDZHRFMUCNLGTO-UHFFFAOYSA-N
Compound name
2-[methyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

925.0024 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 926.00968 152.5
[M+Na]+ 947.99162 152.5
[M+NH4]+ 943.03622 152.5
[M+K]+ 963.96556 152.5
[M-H]- 923.99512 152.5
[M+Na-2H]- 945.97707 152.5
[M]+ 925.00185 152.5
[M]- 925.00295 152.5
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.