CID 11619

8-fluorooctan-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.11069 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.117966 132.3
[M+Na]+ 169.099908 138.8
[M-H]- 145.103414 131.0
[M+NH4]+ 164.144513 153.8
[M+K]+ 185.073848 138.1
[M+H-H2O]+ 129.107950 126.8
[M+HCOO]- 191.108891 153.9
[M+CH3COO]- 205.124541 178.0
[M+Na-2H]- 167.085356 136.6
[M]+ 146.11014142 133.3
[M]- 146.11123858 133.3
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.