CID 9607

Ethyl 12-fluoro-3-oxododecanoate

Structural Information

Molecular Formula
C14H25FO3
SMILES
CCOC(=O)CC(=O)CCCCCCCCCF
InChI
InChI=1S/C14H25FO3/c1-2-18-14(17)12-13(16)10-8-6-4-3-5-7-9-11-15/h2-12H2,1H3
InChIKey
UZOZIAHFAROPOU-UHFFFAOYSA-N
Compound name
ethyl 12-fluoro-3-oxododecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17877 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18605 165.2
[M+Na]+ 283.16799 169.3
[M-H]- 259.17149 162.7
[M+NH4]+ 278.21259 181.9
[M+K]+ 299.14193 167.6
[M+H-H2O]+ 243.17603 158.1
[M+HCOO]- 305.17697 184.4
[M+CH3COO]- 319.19262 199.0
[M+Na-2H]- 281.15344 164.9
[M]+ 260.17822 169.9
[M]- 260.17932 169.9
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.