CID 125473133

Ethyl 7,7,8,8,9,9,10,10,10-nonafluoro-3-oxodecanoate

Structural Information

Molecular Formula
C12H13F9O3
SMILES
CCOC(=O)CC(=O)CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H13F9O3/c1-2-24-8(23)6-7(22)4-3-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h2-6H2,1H3
InChIKey
YOBKMDFEVAZUIO-UHFFFAOYSA-N
Compound name
ethyl 7,7,8,8,9,9,10,10,10-nonafluoro-3-oxodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

376.07208 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07936 173.9
[M+Na]+ 399.06130 181.0
[M-H]- 375.06480 162.9
[M+NH4]+ 394.10590 168.3
[M+K]+ 415.03524 178.6
[M+H-H2O]+ 359.06934 162.5
[M+HCOO]- 421.07028 177.1
[M+CH3COO]- 435.08593 216.5
[M+Na-2H]- 397.04675 174.4
[M]+ 376.07153 164.4
[M]- 376.07263 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.