CID 137185

3-fluorophenylacetone

Structural Information

Molecular Formula
C9H9FO
SMILES
CC(=O)CC1=CC(=CC=C1)F
InChI
InChI=1S/C9H9FO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
InChIKey
UWCPYXSRCQVABG-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

152.06374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 127.8
[M+Na]+ 175.052958 136.2
[M-H]- 151.056464 130.5
[M+NH4]+ 170.097563 149.1
[M+K]+ 191.026898 134.4
[M+H-H2O]+ 135.061000 121.6
[M+HCOO]- 197.061941 150.8
[M+CH3COO]- 211.077591 177.2
[M+Na-2H]- 173.038406 133.6
[M]+ 152.06319142 127.1
[M]- 152.06428858 127.1
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