CID 162396540

Dtxsid101032580

Structural Information

Molecular Formula
C18H24F8N2O4
SMILES
C=CC(=O)OCC(C(C(C(COC(=O)CCNCC1CCNCC1)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H24F8N2O4/c1-2-13(29)31-10-15(19,20)17(23,24)18(25,26)16(21,22)11-32-14(30)5-8-28-9-12-3-6-27-7-4-12/h2,12,27-28H,1,3-11H2
InChIKey
LAGYVQFZNQBJAY-UHFFFAOYSA-N
Compound name
(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) 3-(piperidin-4-ylmethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

484.16083 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.16811 203.6
[M+Na]+ 507.15005 205.2
[M-H]- 483.15355 192.2
[M+NH4]+ 502.19465 185.5
[M+K]+ 523.12399 201.2
[M+H-H2O]+ 467.15809 190.5
[M+HCOO]- 529.15903 197.2
[M+CH3COO]- 543.17468 233.8
[M+Na-2H]- 505.13550 202.6
[M]+ 484.16028 190.2
[M]- 484.16138 190.2
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.