CID 109855

Einecs 269-393-6

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
3
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 193.8
[M+Na]+ 612.02962 200.2
[M-H]- 588.03312 203.9
[M+NH4]+ 607.07422 208.1
[M+K]+ 628.00356 208.7
[M+H-H2O]+ 572.03766 184.0
[M+HCOO]- 634.03860 210.2
[M+CH3COO]- 648.05425 251.4
[M+Na-2H]- 610.01507 190.9
[M]+ 589.03985 194.5
[M]- 589.04095 194.5
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.