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]+ 287.917006 146.6
[M+Na]+ 309.898948 160.2
[M-H]- 285.902454 151.7
[M+NH4]+ 304.943553 164.8
[M+K]+ 325.872888 144.1
[M+H-H2O]+ 269.906990 150.4
[M+HCOO]- 331.907931 162.9
[M+CH3COO]- 345.923581 189.8
[M+Na-2H]- 307.884396 158.0
[M]+ 286.90918142 167.0
[M]- 286.91027858 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.