CID 98713

4-bromo-1-indanone

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1CC(=O)C2=C1C(=CC=C2)Br
InChI
InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey
UVVYFYLSZIMKMC-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1033
Patents

209.96803 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97531 138.2
[M+Na]+ 232.95725 141.8
[M+NH4]+ 228.00185 144.4
[M+K]+ 248.93119 142.3
[M-H]- 208.96075 139.2
[M+Na-2H]- 230.94270 141.0
[M]+ 209.96748 137.8
[M]- 209.96858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe