CID 277068

1-bromo-9h-fluoren-9-one

Structural Information

Molecular Formula
C13H7BrO
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)Br
InChI
InChI=1S/C13H7BrO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7H
InChIKey
YOXUOHDHFCBGHY-UHFFFAOYSA-N
Compound name
1-bromofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

257.96802 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97530 150.5
[M+Na]+ 280.95724 164.8
[M-H]- 256.96074 159.4
[M+NH4]+ 276.00184 175.3
[M+K]+ 296.93118 152.8
[M+H-H2O]+ 240.96528 151.6
[M+HCOO]- 302.96622 172.2
[M+CH3COO]- 316.98187 166.7
[M+Na-2H]- 278.94269 158.5
[M]+ 257.96747 170.5
[M]- 257.96857 170.5
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