CID 45771

Ethyl 9-fluorodecanoate

Structural Information

Molecular Formula

C₁₂H₂₃FO₂

SMILES

CCOC(=O)CCCCCCCC(C)F

InChI

InChI=1S/C12H23FO2/c1-3-15-12(14)10-8-6-4-5-7-9-11(2)13/h11H,3-10H2,1-2H3

InChIKey

JAZAPWBESSCPQY-UHFFFAOYSA-N

Compound name

ethyl 9-fluorodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.16821 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.17549	154.8
[M+Na]+	241.15743	159.5
[M-H]-	217.16093	152.7
[M+NH4]+	236.20203	173.4
[M+K]+	257.13137	158.5
[M+H-H2O]+	201.16547	148.3
[M+HCOO]-	263.16641	174.3
[M+CH3COO]-	277.18206	192.0
[M+Na-2H]-	239.14288	155.5
[M]+	218.16766	158.0
[M]-	218.16876	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.