CID 53438171

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

Structural Information

Molecular Formula
C9H6BrFO
SMILES
C1CC(=O)C2=C(C=CC(=C21)F)Br
InChI
InChI=1S/C9H6BrFO/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3H,1,4H2
InChIKey
AIVSTGKLEISXKC-UHFFFAOYSA-N
Compound name
7-bromo-4-fluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
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 144.7
[M+Na]+ 250.94782 147.7
[M+NH4]+ 245.99242 150.1
[M+K]+ 266.92176 148.1
[M-H]- 226.95132 144.3
[M+Na-2H]- 248.93327 146.3
[M]+ 227.95805 143.7
[M]- 227.95915 143.7
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