CID 106086

67906-40-5

Structural Information

Molecular Formula
C14H16F11NO4S
SMILES
CC(=C)C(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H16F11NO4S/c1-8(2)9(27)30-7-5-4-6-26(3)31(28,29)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h1,4-7H2,2-3H3
InChIKey
OSMPUFUJALYWAR-UHFFFAOYSA-N
Compound name
4-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]butyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

503.06244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.06972 186.5
[M+Na]+ 526.05166 194.6
[M-H]- 502.05516 194.6
[M+NH4]+ 521.09626 200.2
[M+K]+ 542.02560 199.4
[M+H-H2O]+ 486.05970 179.9
[M+HCOO]- 548.06064 201.0
[M+CH3COO]- 562.07629 239.3
[M+Na-2H]- 524.03711 183.2
[M]+ 503.06189 187.3
[M]- 503.06299 187.3
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.