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

13
Patents

225.9542 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.961476 135.8
[M+Na]+ 248.943418 149.9
[M-H]- 224.946924 139.8
[M+NH4]+ 243.988023 156.5
[M+K]+ 264.917358 138.3
[M+H-H2O]+ 208.951460 134.7
[M+HCOO]- 270.952401 154.7
[M+CH3COO]- 284.968051 151.2
[M+Na-2H]- 246.928866 146.7
[M]+ 225.95365142 153.7
[M]- 225.95474858 153.7
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