CID 12520140

4,8-dibromo-1,6-naphthyridine

Structural Information

Molecular Formula
C8H4Br2N2
SMILES
C1=CN=C2C(=CN=CC2=C1Br)Br
InChI
InChI=1S/C8H4Br2N2/c9-6-1-2-12-8-5(6)3-11-4-7(8)10/h1-4H
InChIKey
DOHYGSCQVQSGBI-UHFFFAOYSA-N
Compound name
4,8-dibromo-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.8741 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.88138 131.7
[M+Na]+ 308.86332 144.2
[M-H]- 284.86682 137.6
[M+NH4]+ 303.90792 150.5
[M+K]+ 324.83726 129.3
[M+H-H2O]+ 268.87136 140.3
[M+HCOO]- 330.87230 146.9
[M+CH3COO]- 344.88795 146.6
[M+Na-2H]- 306.84877 142.7
[M]+ 285.87355 166.2
[M]- 285.87465 166.2
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