CID 59233714

5-bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine

Structural Information

Molecular Formula
C13H7BrFNO
SMILES
C1=CC(=CC=C1C2=CC3=CC(=CN=C3O2)Br)F
InChI
InChI=1S/C13H7BrFNO/c14-10-5-9-6-12(17-13(9)16-7-10)8-1-3-11(15)4-2-8/h1-7H
InChIKey
WOTRDFJSZNXCEF-UHFFFAOYSA-N
Compound name
5-bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

290.9695 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.976776 156.3
[M+Na]+ 313.958718 171.4
[M-H]- 289.962224 165.7
[M+NH4]+ 309.003323 176.3
[M+K]+ 329.932658 160.4
[M+H-H2O]+ 273.966760 155.3
[M+HCOO]- 335.967701 177.6
[M+CH3COO]- 349.983351 172.1
[M+Na-2H]- 311.944166 164.5
[M]+ 290.96895142 177.3
[M]- 290.97004858 177.3
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