CID 162396567

Dtxsid201032557

Structural Information

Molecular Formula
C16H22F8N2O4
SMILES
CNCCCNCCC(=O)OCC(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H22F8N2O4/c1-3-11(27)29-9-13(17,18)15(21,22)16(23,24)14(19,20)10-30-12(28)5-8-26-7-4-6-25-2/h3,25-26H,1,4-10H2,2H3
InChIKey
PJUKTSNZHXIBGQ-UHFFFAOYSA-N
Compound name
(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) 3-[3-(methylamino)propylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

458.14517 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15245 184.5
[M+Na]+ 481.13439 194.2
[M-H]- 457.13789 190.6
[M+NH4]+ 476.17899 191.8
[M+K]+ 497.10833 193.8
[M+H-H2O]+ 441.14243 178.5
[M+HCOO]- 503.14337 197.1
[M+CH3COO]- 517.15902 235.8
[M+Na-2H]- 479.11984 179.1
[M]+ 458.14462 179.4
[M]- 458.14572 179.4
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.