CID 19711238

5-bromo-1h-inden-2(3h)-one

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1C(=O)CC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H7BrO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2
InChIKey
JQBSSMBLVVTRKJ-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dihydroinden-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

209.96803 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe