CID 14515298

7-bromo-1-indanone

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1CC(=O)C2=C1C=CC=C2Br
InChI
InChI=1S/C9H7BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChIKey
ZWEODBMKCBWTTQ-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

254
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 138.1
[M+Na]+ 232.95725 151.2
[M-H]- 208.96075 145.7
[M+NH4]+ 228.00185 163.6
[M+K]+ 248.93119 140.3
[M+H-H2O]+ 192.96529 139.4
[M+HCOO]- 254.96623 159.8
[M+CH3COO]- 268.98188 183.0
[M+Na-2H]- 230.94270 145.4
[M]+ 209.96748 156.2
[M]- 209.96858 156.2
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