CID 109855

68227-97-4

Structural Information

Molecular Formula
C15H14F15NO4S
SMILES
CN(CCCCOC(=O)C=C)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H14F15NO4S/c1-3-8(32)35-7-5-4-6-31(2)36(33,34)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h3H,1,4-7H2,2H3
InChIKey
XOBAFFLCNWEIRZ-UHFFFAOYSA-N
Compound name
4-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]butyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.0404 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.04768 158.6
[M+Na]+ 612.02962 158.9
[M+NH4]+ 607.07422 159.2
[M+K]+ 628.00356 159.3
[M-H]- 588.03312 158.5
[M+Na-2H]- 610.01507 158.3
[M]+ 589.03985 158.8
[M]- 589.04095 158.8
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.