CID 119031071

6-bromo-2h,3h-furo[3,2-b]pyridin-3-one

Structural Information

Molecular Formula

C₇H₄BrNO₂

SMILES

C1C(=O)C2=C(O1)C=C(C=N2)Br

InChI

InChI=1S/C7H4BrNO2/c8-4-1-6-7(9-2-4)5(10)3-11-6/h1-2H,3H2

InChIKey

SAIMCIZGDRGDOF-UHFFFAOYSA-N

Compound name

6-bromofuro[3,2-b]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 212.94254 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.949816	134.3
[M+Na]+	235.931758	148.2
[M-H]-	211.935264	141.5
[M+NH4]+	230.976363	157.2
[M+K]+	251.905698	139.1
[M+H-H2O]+	195.939800	135.1
[M+HCOO]-	257.940741	154.9
[M+CH3COO]-	271.956391	150.9
[M+Na-2H]-	233.917206	143.5
[M]+	212.94199142	154.3
[M]-	212.94308858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe