CID 259922

2,7-dibromo-9-fluorenone

Structural Information

Molecular Formula
C13H6Br2O
SMILES
C1=CC2=C(C=C1Br)C(=O)C3=C2C=CC(=C3)Br
InChI
InChI=1S/C13H6Br2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChIKey
CWGRCRZFJOXQFV-UHFFFAOYSA-N
Compound name
2,7-dibromofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1742
Patents

335.87854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.88582 154.5
[M+Na]+ 358.86776 167.6
[M-H]- 334.87126 163.4
[M+NH4]+ 353.91236 176.0
[M+K]+ 374.84170 152.5
[M+H-H2O]+ 318.87580 163.6
[M+HCOO]- 380.87674 170.7
[M+CH3COO]- 394.89239 169.2
[M+Na-2H]- 356.85321 161.1
[M]+ 335.87799 189.7
[M]- 335.87909 189.7
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