CID 2782767

7-fluoroindan-1-one

Structural Information

Molecular Formula
C9H7FO
SMILES
C1CC(=O)C2=C1C=CC=C2F
InChI
InChI=1S/C9H7FO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChIKey
ASSCRDJQEHFKSX-UHFFFAOYSA-N
Compound name
7-fluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
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 125.6
[M+Na]+ 173.03732 135.6
[M-H]- 149.04082 129.4
[M+NH4]+ 168.08192 150.1
[M+K]+ 189.01126 132.8
[M+H-H2O]+ 133.04536 120.1
[M+HCOO]- 195.04630 148.8
[M+CH3COO]- 209.06195 175.2
[M+Na-2H]- 171.02277 131.7
[M]+ 150.04755 124.0
[M]- 150.04865 124.0
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