CID 121552950

2,6-dibromo-1h-inden-1-one

Structural Information

Molecular Formula
C9H4Br2O
SMILES
C1=CC2=C(C=C1Br)C(=O)C(=C2)Br
InChI
InChI=1S/C9H4Br2O/c10-6-2-1-5-3-8(11)9(12)7(5)4-6/h1-4H
InChIKey
PODSKCGFWAKOIV-UHFFFAOYSA-N
Compound name
2,6-dibromoinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.86288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.87016 141.1
[M+Na]+ 308.85210 154.4
[M-H]- 284.85560 149.5
[M+NH4]+ 303.89670 163.4
[M+K]+ 324.82604 139.4
[M+H-H2O]+ 268.86014 150.3
[M+HCOO]- 330.86108 158.7
[M+CH3COO]- 344.87673 201.4
[M+Na-2H]- 306.83755 148.3
[M]+ 285.86233 176.0
[M]- 285.86343 176.0
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

No patent data available for this compound.