CID 11770230

174603-56-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

227.9586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.965876 141.4
[M+Na]+ 250.947818 155.3
[M-H]- 226.951324 148.0
[M+NH4]+ 245.992423 166.3
[M+K]+ 266.921758 143.9
[M+H-H2O]+ 210.955860 141.9
[M+HCOO]- 272.956801 162.1
[M+CH3COO]- 286.972451 186.6
[M+Na-2H]- 248.933266 147.3
[M]+ 227.95805142 158.7
[M]- 227.95914858 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