CID 136537

5-fluoro-1-indanone

Structural Information

Molecular Formula
C9H7FO
SMILES
C1CC(=O)C2=C1C=C(C=C2)F
InChI
InChI=1S/C9H7FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey
WVPPBVAMKNQXJA-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1211
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

literature stripe

Patent stripe

patents stripe