CID 456117

13-oxa-2f-myristic acid

Structural Information

Molecular Formula
C13H25FO3
SMILES
COCCCCCCCCCCC(C(=O)O)F
InChI
InChI=1S/C13H25FO3/c1-17-11-9-7-5-3-2-4-6-8-10-12(14)13(15)16/h12H,2-11H2,1H3,(H,15,16)
InChIKey
YQPQOBVFFLOPAA-UHFFFAOYSA-N
Compound name
2-fluoro-12-methoxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.17877 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18605 162.6
[M+Na]+ 271.16799 166.3
[M-H]- 247.17149 158.8
[M+NH4]+ 266.21259 179.0
[M+K]+ 287.14193 164.6
[M+H-H2O]+ 231.17603 155.8
[M+HCOO]- 293.17697 180.4
[M+CH3COO]- 307.19262 194.9
[M+Na-2H]- 269.15344 162.2
[M]+ 248.17822 165.8
[M]- 248.17932 165.8
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.