CID 162396631

Dtxsid801032729

Structural Information

Molecular Formula
C17H24F9NO4
SMILES
CCCCCCC(=O)OCC(CN(CC)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C17H24F9NO4/c1-3-5-6-7-8-12(29)31-10-11(28)9-27(4-2)13(30)14(18,19)15(20,21)16(22,23)17(24,25)26/h11,28H,3-10H2,1-2H3
InChIKey
ZUIHQWDPAQXJQG-UHFFFAOYSA-N
Compound name
[3-[ethyl(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]-2-hydroxypropyl] heptanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

477.15616 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16344 188.5
[M+Na]+ 500.14538 197.5
[M-H]- 476.14888 194.6
[M+NH4]+ 495.18998 199.4
[M+K]+ 516.11932 200.1
[M+H-H2O]+ 460.15342 184.5
[M+HCOO]- 522.15436 197.3
[M+CH3COO]- 536.17001 238.0
[M+Na-2H]- 498.13083 183.8
[M]+ 477.15561 185.1
[M]- 477.15671 185.1
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.