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

15
Patents

290.9695 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.97678 156.3
[M+Na]+ 313.95872 171.4
[M-H]- 289.96222 165.7
[M+NH4]+ 309.00332 176.3
[M+K]+ 329.93266 160.4
[M+H-H2O]+ 273.96676 155.3
[M+HCOO]- 335.96770 177.6
[M+CH3COO]- 349.98335 172.1
[M+Na-2H]- 311.94417 164.5
[M]+ 290.96895 177.3
[M]- 290.97005 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