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

27
Patents

180.05865 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.065926 133.0
[M+Na]+ 203.047868 144.0
[M-H]- 179.051374 136.1
[M+NH4]+ 198.092473 156.2
[M+K]+ 219.021808 140.5
[M+H-H2O]+ 163.055910 128.1
[M+HCOO]- 225.056851 154.6
[M+CH3COO]- 239.072501 180.0
[M+Na-2H]- 201.033316 136.9
[M]+ 180.05810142 132.2
[M]- 180.05919858 132.2
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