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

98
Patents

168.03867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.045946 127.8
[M+Na]+ 191.027888 138.8
[M-H]- 167.031394 130.6
[M+NH4]+ 186.072493 151.8
[M+K]+ 207.001828 135.5
[M+H-H2O]+ 151.035930 121.6
[M+HCOO]- 213.036871 150.0
[M+CH3COO]- 227.052521 179.1
[M+Na-2H]- 189.013336 132.7
[M]+ 168.03812142 125.5
[M]- 168.03921858 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