CID 11344501

2-fluorodecanoic acid

Structural Information

Molecular Formula
C10H19FO2
SMILES
CCCCCCCCC(C(=O)O)F
InChI
InChI=1S/C10H19FO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKey
BWUGLYOYLQJRBE-UHFFFAOYSA-N
Compound name
2-fluorodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

190.1369 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14418 145.9
[M+Na]+ 213.12612 150.9
[M-H]- 189.12962 142.7
[M+NH4]+ 208.17072 164.8
[M+K]+ 229.10006 149.5
[M+H-H2O]+ 173.13416 140.0
[M+HCOO]- 235.13510 164.5
[M+CH3COO]- 249.15075 184.0
[M+Na-2H]- 211.11157 147.2
[M]+ 190.13635 146.5
[M]- 190.13745 146.5
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