CID 2063328

443-09-4

Structural Information

Molecular Formula
C9H9FO2
SMILES
CCC(=O)C1=C(C=CC(=C1)F)O
InChI
InChI=1S/C9H9FO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3
InChIKey
OLVYYKLFIUGMCW-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

168.05865 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 134.2
[M+Na]+ 191.04787 146.2
[M+NH4]+ 186.09247 141.7
[M+K]+ 207.02181 140.5
[M-H]- 167.05137 134.2
[M+Na-2H]- 189.03332 139.7
[M]+ 168.05810 135.7
[M]- 168.05920 135.7
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