CID 86767805

8-bromo-2-fluoro-1,5-naphthyridine

Structural Information

Molecular Formula

C₈H₄BrFN₂

SMILES

C1=CC(=NC2=C(C=CN=C21)Br)F

InChI

InChI=1S/C8H4BrFN2/c9-5-3-4-11-6-1-2-7(10)12-8(5)6/h1-4H

InChIKey

LYJLCBJPUTZONT-UHFFFAOYSA-N

Compound name

8-bromo-2-fluoro-1,5-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 225.9542 Da
Monoisotopic Mass: 2.3
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]+	226.96148	138.7
[M+Na]+	248.94342	144.2
[M+NH4]+	243.98802	144.0
[M+K]+	264.91736	142.9
[M-H]-	224.94692	138.6
[M+Na-2H]-	246.92887	143.4
[M]+	225.95365	138.3
[M]-	225.95475	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe