CID 16038257

5,7-dibromo-1-indanone

Structural Information

Molecular Formula
C9H6Br2O
SMILES
C1CC(=O)C2=C1C=C(C=C2Br)Br
InChI
InChI=1S/C9H6Br2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
InChIKey
WLRPGDOWFWBUAE-UHFFFAOYSA-N
Compound name
5,7-dibromo-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.87854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.88582 143.3
[M+Na]+ 310.86776 155.8
[M-H]- 286.87126 151.3
[M+NH4]+ 305.91236 165.4
[M+K]+ 326.84170 140.9
[M+H-H2O]+ 270.87580 152.5
[M+HCOO]- 332.87674 159.7
[M+CH3COO]- 346.89239 201.7
[M+Na-2H]- 308.85321 149.6
[M]+ 287.87799 177.0
[M]- 287.87909 177.0
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.