CID 19047214

14-fluoro-myristic acid

Structural Information

Molecular Formula
C14H27FO2
SMILES
C(CCCCCCC(=O)O)CCCCCCF
InChI
InChI=1S/C14H27FO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-13H2,(H,16,17)
InChIKey
MFWHHTJGSBBVFN-UHFFFAOYSA-N
Compound name
14-fluorotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

246.19951 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20679 163.8
[M+Na]+ 269.18873 167.3
[M-H]- 245.19223 159.7
[M+NH4]+ 264.23333 180.4
[M+K]+ 285.16267 164.4
[M+H-H2O]+ 229.19677 156.9
[M+HCOO]- 291.19771 182.0
[M+CH3COO]- 305.21336 195.2
[M+Na-2H]- 267.17418 164.1
[M]+ 246.19896 166.5
[M]- 246.20006 166.5
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

patents stripe