CID 817263

2-bromo-1,5-naphthyridine

Structural Information

Molecular Formula
C8H5BrN2
SMILES
C1=CC2=C(C=CC(=N2)Br)N=C1
InChI
InChI=1S/C8H5BrN2/c9-8-4-3-6-7(11-8)2-1-5-10-6/h1-5H
InChIKey
BKYZLQUIVDRXKW-UHFFFAOYSA-N
Compound name
2-bromo-1,5-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

207.96361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.970886 131.8
[M+Na]+ 230.952828 145.1
[M-H]- 206.956334 136.8
[M+NH4]+ 225.997433 153.0
[M+K]+ 246.926768 134.1
[M+H-H2O]+ 190.960870 131.6
[M+HCOO]- 252.961811 151.9
[M+CH3COO]- 266.977461 147.6
[M+Na-2H]- 228.938276 144.2
[M]+ 207.96306142 150.4
[M]- 207.96415858 150.4
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