CID 119099144

6,8-dibromo-1,2,3,4-tetrahydro-1,5-naphthyridine

Structural Information

Molecular Formula
C8H8Br2N2
SMILES
C1CC2=C(C(=CC(=N2)Br)Br)NC1
InChI
InChI=1S/C8H8Br2N2/c9-5-4-7(10)12-6-2-1-3-11-8(5)6/h4,11H,1-3H2
InChIKey
SOCSRDXBNUJLNM-UHFFFAOYSA-N
Compound name
6,8-dibromo-1,2,3,4-tetrahydro-1,5-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.90543 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.91271 137.1
[M+Na]+ 312.89465 147.5
[M-H]- 288.89815 141.3
[M+NH4]+ 307.93925 154.9
[M+K]+ 328.86859 132.1
[M+H-H2O]+ 272.90269 145.6
[M+HCOO]- 334.90363 148.8
[M+CH3COO]- 348.91928 150.3
[M+Na-2H]- 310.88010 145.8
[M]+ 289.90488 167.9
[M]- 289.90598 167.9
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.