CID 11768944

5,6-difluoro-1-indanone

Structural Information

Molecular Formula
C9H6F2O
SMILES
C1CC(=O)C2=CC(=C(C=C21)F)F
InChI
InChI=1S/C9H6F2O/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4H,1-2H2
InChIKey
OSJRTWXVMCRBKZ-UHFFFAOYSA-N
Compound name
5,6-difluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

232
Patents

168.03867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04595 134.1
[M+Na]+ 191.02789 145.5
[M+NH4]+ 186.07249 142.5
[M+K]+ 207.00183 140.5
[M-H]- 167.03139 133.7
[M+Na-2H]- 189.01334 138.5
[M]+ 168.03812 135.4
[M]- 168.03922 135.4
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