CID 45480320

8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine

Structural Information

Molecular Formula
C9H6BrFN2O
SMILES
COC1=NC2=C(C(=CN=C2C=C1)F)Br
InChI
InChI=1S/C9H6BrFN2O/c1-14-7-3-2-6-9(13-7)8(10)5(11)4-12-6/h2-4H,1H3
InChIKey
KBDDFKYRMCBPOT-UHFFFAOYSA-N
Compound name
8-bromo-7-fluoro-2-methoxy-1,5-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

255.96475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.97203 143.3
[M+Na]+ 278.95397 157.7
[M-H]- 254.95747 147.4
[M+NH4]+ 273.99857 163.0
[M+K]+ 294.92791 146.3
[M+H-H2O]+ 238.96201 141.8
[M+HCOO]- 300.96295 162.0
[M+CH3COO]- 314.97860 192.1
[M+Na-2H]- 276.93942 152.9
[M]+ 255.96420 163.1
[M]- 255.96530 163.1
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