CID 13221800

3-bromofluoranthene

Structural Information

Molecular Formula
C16H9Br
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)Br
InChI
InChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChIKey
WCXFCLXZMIFHBU-UHFFFAOYSA-N
Compound name
3-bromofluoranthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

279.98877 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99605 159.7
[M+Na]+ 302.97799 173.4
[M-H]- 278.98149 168.6
[M+NH4]+ 298.02259 184.6
[M+K]+ 318.95193 160.8
[M+H-H2O]+ 262.98603 160.2
[M+HCOO]- 324.98697 179.7
[M+CH3COO]- 339.00262 175.0
[M+Na-2H]- 300.96344 168.6
[M]+ 279.98822 180.1
[M]- 279.98932 180.1
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