CID 587852

130408-16-1

Structural Information

Molecular Formula
C9H6F2O
SMILES
C1CC(=O)C2=C(C=CC(=C21)F)F
InChI
InChI=1S/C9H6F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2
InChIKey
KMWBFTTYYGUTNW-UHFFFAOYSA-N
Compound name
4,7-difluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
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 127.8
[M+Na]+ 191.02789 138.8
[M-H]- 167.03139 130.6
[M+NH4]+ 186.07249 151.8
[M+K]+ 207.00183 135.5
[M+H-H2O]+ 151.03593 121.6
[M+HCOO]- 213.03687 150.0
[M+CH3COO]- 227.05252 179.1
[M+Na-2H]- 189.01334 132.7
[M]+ 168.03812 125.5
[M]- 168.03922 125.5
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