CID 817270

8-bromo-1,6-naphthyridine

Structural Information

Molecular Formula
C8H5BrN2
SMILES
C1=CC2=CN=CC(=C2N=C1)Br
InChI
InChI=1S/C8H5BrN2/c9-7-5-10-4-6-2-1-3-11-8(6)7/h1-5H
InChIKey
PQBNZTONCGWKCZ-UHFFFAOYSA-N
Compound name
8-bromo-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

207.96361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.97089 131.8
[M+Na]+ 230.95283 145.1
[M-H]- 206.95633 136.8
[M+NH4]+ 225.99743 153.0
[M+K]+ 246.92677 134.1
[M+H-H2O]+ 190.96087 131.6
[M+HCOO]- 252.96181 151.9
[M+CH3COO]- 266.97746 147.6
[M+Na-2H]- 228.93828 144.2
[M]+ 207.96306 150.4
[M]- 207.96416 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