CID 159283493

3-bromo-6-chloro-7-iodoimidazo[1,2-b]pyridazin-8-amine

Structural Information

Molecular Formula
C6H3BrClIN4
SMILES
C1=C(N2C(=N1)C(=C(C(=N2)Cl)I)N)Br
InChI
InChI=1S/C6H3BrClIN4/c7-2-1-11-6-4(10)3(9)5(8)12-13(2)6/h1H,10H2
InChIKey
KZFGJFBDESGSMT-UHFFFAOYSA-N
Compound name
3-bromo-6-chloro-7-iodoimidazo[1,2-b]pyridazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

371.82742 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.83470 143.1
[M+Na]+ 394.81664 153.4
[M-H]- 370.82014 141.0
[M+NH4]+ 389.86124 159.0
[M+K]+ 410.79058 145.9
[M+H-H2O]+ 354.82468 139.1
[M+HCOO]- 416.82562 155.8
[M+CH3COO]- 430.84127 154.9
[M+Na-2H]- 392.80209 140.6
[M]+ 371.82687 161.1
[M]- 371.82797 161.1
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