CID 9472

9-fluorononanophenone

Structural Information

Molecular Formula
C15H21FO
SMILES
C1=CC=C(C=C1)C(=O)CCCCCCCCF
InChI
InChI=1S/C15H21FO/c16-13-9-4-2-1-3-8-12-15(17)14-10-6-5-7-11-14/h5-7,10-11H,1-4,8-9,12-13H2
InChIKey
ITVSHYJKAJROEG-UHFFFAOYSA-N
Compound name
9-fluoro-1-phenylnonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15764 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16492 157.0
[M+Na]+ 259.14686 161.9
[M-H]- 235.15036 158.1
[M+NH4]+ 254.19146 174.5
[M+K]+ 275.12080 158.4
[M+H-H2O]+ 219.15490 149.2
[M+HCOO]- 281.15584 177.9
[M+CH3COO]- 295.17149 194.2
[M+Na-2H]- 257.13231 160.1
[M]+ 236.15709 158.0
[M]- 236.15819 158.0
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.