CID 14983321

Ethyl 3-[(2-ethoxy-2-oxoethyl)amino]-4,4,5,5,6,6,7,7,7-nonafluoroheptanoate

Structural Information

Molecular Formula
C13H16F9NO4
SMILES
CCOC(=O)CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NCC(=O)OCC
InChI
InChI=1S/C13H16F9NO4/c1-3-26-8(24)5-7(23-6-9(25)27-4-2)10(14,15)11(16,17)12(18,19)13(20,21)22/h7,23H,3-6H2,1-2H3
InChIKey
XMLQJCWVPGBECK-UHFFFAOYSA-N
Compound name
ethyl 3-[(2-ethoxy-2-oxoethyl)amino]-4,4,5,5,6,6,7,7,7-nonafluoroheptanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

421.09357 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.10085 172.4
[M+Na]+ 444.08279 181.6
[M-H]- 420.08629 178.4
[M+NH4]+ 439.12739 182.0
[M+K]+ 460.05673 182.2
[M+H-H2O]+ 404.09083 171.4
[M+HCOO]- 466.09177 185.1
[M+CH3COO]- 480.10742 226.1
[M+Na-2H]- 442.06824 183.1
[M]+ 421.09302 169.4
[M]- 421.09412 169.4
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.