CID 106182

67939-61-1

Structural Information

Molecular Formula
C15H16F13NO4S
SMILES
CC(=C)C(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H16F13NO4S/c1-8(2)9(30)33-7-5-4-6-29(3)34(31,32)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h1,4-7H2,2-3H3
InChIKey
KKCCHFWHAXJXIQ-UHFFFAOYSA-N
Compound name
4-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]butyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

553.05927 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.06655 193.0
[M+Na]+ 576.04849 200.3
[M-H]- 552.05199 202.7
[M+NH4]+ 571.09309 207.7
[M+K]+ 592.02243 207.5
[M+H-H2O]+ 536.05653 184.9
[M+HCOO]- 598.05747 207.2
[M+CH3COO]- 612.07312 247.1
[M+Na-2H]- 574.03394 189.8
[M]+ 553.05872 193.7
[M]- 553.05982 193.7
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.