CID 16024

9-bromofluorene

Structural Information

Molecular Formula
C13H9Br
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)Br
InChI
InChI=1S/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
InChIKey
AHCDKANCCBEQJJ-UHFFFAOYSA-N
Compound name
9-bromo-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

491
Patents

243.98875 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99603 149.2
[M+Na]+ 266.97797 162.6
[M-H]- 242.98147 157.8
[M+NH4]+ 262.02257 174.4
[M+K]+ 282.95191 150.6
[M+H-H2O]+ 226.98601 150.3
[M+HCOO]- 288.98695 170.6
[M+CH3COO]- 303.00260 165.1
[M+Na-2H]- 264.96342 157.7
[M]+ 243.98820 168.1
[M]- 243.98930 168.1
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