CID 251999

3-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/c14-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(11)15/h1-7H
InChIKey
XWRAQISPRVFAQK-UHFFFAOYSA-N
Compound name
3-bromofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

257.96802 Da
Monoisotopic Mass

3.9
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