CID 109102

61577-14-8

Structural Information

Molecular Formula
C17H16F17NO4S
SMILES
CC(=C)C(=O)OCCCCN(C)S(=O)(=O)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
InChI
InChI=1S/C17H16F17NO4S/c1-8(2)9(36)39-7-5-4-6-35(3)40(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h1,4-7H2,2-3H3
InChIKey
DJKGXDGHCIHDPZ-UHFFFAOYSA-N
Compound name
4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]butyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

653.05286 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.06014 155.7
[M+Na]+ 676.04208 155.8
[M+NH4]+ 671.08668 155.9
[M+K]+ 692.01602 156.0
[M-H]- 652.04558 155.7
[M+Na-2H]- 674.02753 155.5
[M]+ 653.05231 155.8
[M]- 653.05341 155.8
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.