CID 459800

9-bromobenzofuro[2,3-f]quinoline

Structural Information

Molecular Formula
C15H8BrNO
SMILES
C1=CC2=C(C=CC3=C2OC4=C3C=CC(=C4)Br)N=C1
InChI
InChI=1S/C15H8BrNO/c16-9-3-4-10-11-5-6-13-12(2-1-7-17-13)15(11)18-14(10)8-9/h1-8H
InChIKey
KMBPACPDFLLDLX-UHFFFAOYSA-N
Compound name
9-bromo-[1]benzofuro[2,3-f]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.97894 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.98622 159.2
[M+Na]+ 319.96816 175.2
[M-H]- 295.97166 168.8
[M+NH4]+ 315.01276 180.9
[M+K]+ 335.94210 164.1
[M+H-H2O]+ 279.97620 159.2
[M+HCOO]- 341.97714 180.2
[M+CH3COO]- 355.99279 175.2
[M+Na-2H]- 317.95361 170.6
[M]+ 296.97839 182.8
[M]- 296.97949 182.8
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

No patent data available for this compound.