CID 137966093

3-bromo-6-nitro-1,8-naphthyridine

Structural Information

Molecular Formula
C8H4BrN3O2
SMILES
C1=C2C=C(C=NC2=NC=C1[N+](=O)[O-])Br
InChI
InChI=1S/C8H4BrN3O2/c9-6-1-5-2-7(12(13)14)4-11-8(5)10-3-6/h1-4H
InChIKey
YTAGQTJQCSNOMS-UHFFFAOYSA-N
Compound name
3-bromo-6-nitro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.94868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.95596 141.3
[M+Na]+ 275.93790 153.6
[M-H]- 251.94140 146.6
[M+NH4]+ 270.98250 159.9
[M+K]+ 291.91184 138.9
[M+H-H2O]+ 235.94594 144.4
[M+HCOO]- 297.94688 162.2
[M+CH3COO]- 311.96253 185.2
[M+Na-2H]- 273.92335 153.9
[M]+ 252.94813 159.6
[M]- 252.94923 159.6
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

No patent data available for this compound.