CID 50989426

6-bromo-4-fluoro-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H6BrFO
SMILES
C1CC(=O)C2=C1C(=CC(=C2)Br)F
InChI
InChI=1S/C9H6BrFO/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2
InChIKey
FVPXVDTWEBFLLE-UHFFFAOYSA-N
Compound name
6-bromo-4-fluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

227.9586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96588 141.4
[M+Na]+ 250.94782 155.3
[M-H]- 226.95132 148.0
[M+NH4]+ 245.99242 166.3
[M+K]+ 266.92176 143.9
[M+H-H2O]+ 210.95586 141.9
[M+HCOO]- 272.95680 162.1
[M+CH3COO]- 286.97245 186.6
[M+Na-2H]- 248.93327 147.3
[M]+ 227.95805 158.7
[M]- 227.95915 158.7
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