CID 1236658

3,7-dibromo-1,5-naphthyridine

Structural Information

Molecular Formula
C8H4Br2N2
SMILES
C1=C(C=NC2=C1N=CC(=C2)Br)Br
InChI
InChI=1S/C8H4Br2N2/c9-5-1-7-8(12-3-5)2-6(10)4-11-7/h1-4H
InChIKey
BHEMSCKUFBIJTI-UHFFFAOYSA-N
Compound name
3,7-dibromo-1,5-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

285.8741 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.881376 131.7
[M+Na]+ 308.863318 144.2
[M-H]- 284.866824 137.6
[M+NH4]+ 303.907923 150.5
[M+K]+ 324.837258 129.3
[M+H-H2O]+ 268.871360 140.3
[M+HCOO]- 330.872301 146.9
[M+CH3COO]- 344.887951 146.6
[M+Na-2H]- 306.848766 142.7
[M]+ 285.87355142 166.2
[M]- 285.87464858 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