CID 58950914

881190-18-7

Structural Information

Molecular Formula
C9H6F2O
SMILES
C1CC(=O)C2=C1C=CC(=C2F)F
InChI
InChI=1S/C9H6F2O/c10-6-3-1-5-2-4-7(12)8(5)9(6)11/h1,3H,2,4H2
InChIKey
FUHVCFOIJUMUJD-UHFFFAOYSA-N
Compound name
6,7-difluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

No literature data available for this compound.

Patent stripe

patents stripe