CID 162564

48077-95-8

Structural Information

Molecular Formula
C16H14F17NO4S
SMILES
CN(CCOC(=O)C=C)S(=O)(=O)CCC(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/C16H14F17NO4S/c1-3-8(35)38-6-5-34(2)39(36,37)7-4-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h3H,1,4-7H2,2H3
InChIKey
OHZQKIHETAGXCE-UHFFFAOYSA-N
Compound name
2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfonyl(methyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

639.03723 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.04451 155.6
[M+Na]+ 662.02645 155.7
[M+NH4]+ 657.07105 155.9
[M+K]+ 678.00039 155.9
[M-H]- 638.02995 155.6
[M+Na-2H]- 660.01190 155.4
[M]+ 639.03668 155.7
[M]- 639.03778 155.7
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.