CID 16226761

4-fluoro-7-hydroxy-3-methyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C10H9FO2
SMILES
CC1CC(=O)C2=C(C=CC(=C12)F)O
InChI
InChI=1S/C10H9FO2/c1-5-4-8(13)10-7(12)3-2-6(11)9(5)10/h2-3,5,12H,4H2,1H3
InChIKey
APMLKHHZAUIDJJ-UHFFFAOYSA-N
Compound name
4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

180.05865 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 136.3
[M+Na]+ 203.04787 148.2
[M+NH4]+ 198.09247 144.7
[M+K]+ 219.02181 143.8
[M-H]- 179.05137 136.6
[M+Na-2H]- 201.03332 140.2
[M]+ 180.05810 137.9
[M]- 180.05920 137.9
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

patents stripe