CID 23727076

959558-27-1

Structural Information

Molecular Formula

C₈H₅BrN₂O

SMILES

C1=CN=CC2=C1C(=CNC2=O)Br

InChI

InChI=1S/C8H5BrN2O/c9-7-4-11-8(12)6-3-10-2-1-5(6)7/h1-4H,(H,11,12)

InChIKey

OBEISHLTGGIGRG-UHFFFAOYSA-N

Compound name

4-bromo-2H-2,7-naphthyridin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 223.95853 Da
Monoisotopic Mass: 0.7
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]+	224.96581	136.4
[M+Na]+	246.94775	141.9
[M+NH4]+	241.99235	141.4
[M+K]+	262.92169	141.4
[M-H]-	222.95125	136.6
[M+Na-2H]-	244.93320	140.9
[M]+	223.95798	136.1
[M]-	223.95908	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe