CID 12174986

4-fluoro-1-indanone

Structural Information

Molecular Formula
C9H7FO
SMILES
C1CC(=O)C2=C1C(=CC=C2)F
InChI
InChI=1S/C9H7FO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey
HOMSJDBZHCPYHY-UHFFFAOYSA-N
Compound name
4-fluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

150.0481 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05538 128.7
[M+Na]+ 173.03732 141.0
[M+NH4]+ 168.08192 138.2
[M+K]+ 189.01126 135.7
[M-H]- 149.04082 129.9
[M+Na-2H]- 171.02277 134.3
[M]+ 150.04755 130.7
[M]- 150.04865 130.7
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