CID 520695

5-bromo-1-indanone

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1CC(=O)C2=C1C=C(C=C2)Br
InChI
InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey
KSONICAHAPRCMV-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2336
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