CID 14419501

2-fluorooctanoic acid

Structural Information

Molecular Formula
C8H15FO2
SMILES
CCCCCCC(C(=O)O)F
InChI
InChI=1S/C8H15FO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
SASJUHYALINSSV-UHFFFAOYSA-N
Compound name
2-fluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

162.1056 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11288 137.2
[M+Na]+ 185.09482 145.3
[M+NH4]+ 180.13942 143.4
[M+K]+ 201.06876 140.7
[M-H]- 161.09832 134.0
[M+Na-2H]- 183.08027 138.7
[M]+ 162.10505 137.0
[M]- 162.10615 137.0
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

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