CID 105238

66008-69-3

Structural Information

Molecular Formula
C15H12F17NO4S
SMILES
CN(CCOC(=O)C=C)S(=O)(=O)CC(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/C15H12F17NO4S/c1-3-7(34)37-5-4-33(2)38(35,36)6-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h3H,1,4-6H2,2H3
InChIKey
PIINPBJRTIJQBX-UHFFFAOYSA-N
Compound name
2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylsulfonyl(methyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

625.02155 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.02883 155.5
[M+Na]+ 648.01077 155.7
[M+NH4]+ 643.05537 155.8
[M+K]+ 663.98471 155.8
[M-H]- 624.01427 155.5
[M+Na-2H]- 645.99622 155.4
[M]+ 625.02100 155.6
[M]- 625.02210 155.6
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.