CID 12027793

5-bromo-2-phenylfuro[2,3-b]pyridine

Structural Information

Molecular Formula
C13H8BrNO
SMILES
C1=CC=C(C=C1)C2=CC3=CC(=CN=C3O2)Br
InChI
InChI=1S/C13H8BrNO/c14-11-6-10-7-12(16-13(10)15-8-11)9-4-2-1-3-5-9/h1-8H
InChIKey
GDEUCQHGCNNNOT-UHFFFAOYSA-N
Compound name
5-bromo-2-phenylfuro[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.97894 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.98622 152.2
[M+Na]+ 295.96816 166.3
[M-H]- 271.97166 162.5
[M+NH4]+ 291.01276 172.6
[M+K]+ 311.94210 155.9
[M+H-H2O]+ 255.97620 152.0
[M+HCOO]- 317.97714 174.5
[M+CH3COO]- 331.99279 168.3
[M+Na-2H]- 293.95361 161.8
[M]+ 272.97839 173.8
[M]- 272.97949 173.8
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.