CID 125513624

8-bromo-4-chloro-3-nitro-1,6-naphthyridine

Structural Information

Molecular Formula
C8H3BrClN3O2
SMILES
C1=C2C(=C(C=N1)Br)N=CC(=C2Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H3BrClN3O2/c9-5-2-11-1-4-7(10)6(13(14)15)3-12-8(4)5/h1-3H
InChIKey
KWCFLUGEJCAASS-UHFFFAOYSA-N
Compound name
8-bromo-4-chloro-3-nitro-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.90973 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.91701 146.6
[M+Na]+ 309.89895 160.2
[M-H]- 285.90245 151.7
[M+NH4]+ 304.94355 164.8
[M+K]+ 325.87289 144.1
[M+H-H2O]+ 269.90699 150.4
[M+HCOO]- 331.90793 162.9
[M+CH3COO]- 345.92358 189.8
[M+Na-2H]- 307.88440 158.0
[M]+ 286.90918 167.0
[M]- 286.91028 167.0
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.