CID 81357338

4-ethyl-2-fluorohexanoic acid

Structural Information

Molecular Formula
C8H15FO2
SMILES
CCC(CC)CC(C(=O)O)F
InChI
InChI=1S/C8H15FO2/c1-3-6(4-2)5-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
MCPNEXSQVUAEJL-UHFFFAOYSA-N
Compound name
4-ethyl-2-fluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.1056 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11288 136.6
[M+Na]+ 185.09482 142.2
[M-H]- 161.09832 134.0
[M+NH4]+ 180.13942 156.6
[M+K]+ 201.06876 141.9
[M+H-H2O]+ 145.10286 131.2
[M+HCOO]- 207.10380 154.9
[M+CH3COO]- 221.11945 178.9
[M+Na-2H]- 183.08027 137.7
[M]+ 162.10505 135.8
[M]- 162.10615 135.8
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.