CID 11531

2-octanone, 1-fluoro-

Structural Information

Molecular Formula
C8H15FO
SMILES
CCCCCCC(=O)CF
InChI
InChI=1S/C8H15FO/c1-2-3-4-5-6-8(10)7-9/h2-7H2,1H3
InChIKey
ULGQTMJOCRMHRB-UHFFFAOYSA-N
Compound name
1-fluorooctan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

146.11069 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11797 133.7
[M+Na]+ 169.09991 143.1
[M+NH4]+ 164.14451 140.9
[M+K]+ 185.07385 136.9
[M-H]- 145.10341 131.8
[M+Na-2H]- 167.08536 136.6
[M]+ 146.11014 134.2
[M]- 146.11124 134.2
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