CID 59022098

4-(4-bromophenyl)dibenzo[b,d]furan

Structural Information

Molecular Formula
C18H11BrO
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H11BrO/c19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h1-11H
InChIKey
RIPZSADLUWTEFQ-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)dibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1001
Patents

321.99933 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00661 169.9
[M+Na]+ 344.98855 183.7
[M-H]- 320.99205 182.2
[M+NH4]+ 340.03315 190.5
[M+K]+ 360.96249 172.5
[M+H-H2O]+ 304.99659 169.8
[M+HCOO]- 366.99753 191.3
[M+CH3COO]- 381.01318 185.1
[M+Na-2H]- 342.97400 178.2
[M]+ 321.99878 191.4
[M]- 321.99988 191.4
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