CID 257937

3,6-dibromo-9h-fluoren-9-one

Structural Information

Molecular Formula
C13H6Br2O
SMILES
C1=CC2=C(C=C1Br)C3=C(C2=O)C=CC(=C3)Br
InChI
InChI=1S/C13H6Br2O/c14-7-1-3-9-11(5-7)12-6-8(15)2-4-10(12)13(9)16/h1-6H
InChIKey
XXZOHYHKWDLSFS-UHFFFAOYSA-N
Compound name
3,6-dibromofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
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 157.3
[M+Na]+ 358.86776 153.6
[M+NH4]+ 353.91236 160.2
[M+K]+ 374.84170 159.5
[M-H]- 334.87126 158.8
[M+Na-2H]- 356.85321 158.4
[M]+ 335.87799 156.2
[M]- 335.87909 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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