CID 90263903

4-bromo-6-phenyldibenzo[b,d]furan

Structural Information

Molecular Formula
C18H11BrO
SMILES
C1=CC=C(C=C1)C2=CC=CC3=C2OC4=C3C=CC=C4Br
InChI
InChI=1S/C18H11BrO/c19-16-11-5-10-15-14-9-4-8-13(17(14)20-18(15)16)12-6-2-1-3-7-12/h1-11H
InChIKey
MPSDYLBAJCSIMR-UHFFFAOYSA-N
Compound name
4-bromo-6-phenyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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

No literature data available for this compound.

Patent stripe

patents stripe