CID 57345829

3,4,6-tribromopyridazine

Structural Information

Molecular Formula
C4HBr3N2
SMILES
C1=C(C(=NN=C1Br)Br)Br
InChI
InChI=1S/C4HBr3N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChIKey
ZRPHMOREEBHHIM-UHFFFAOYSA-N
Compound name
3,4,6-tribromopyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.76898 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.77626 120.8
[M+Na]+ 336.75820 130.3
[M-H]- 312.76170 125.5
[M+NH4]+ 331.80280 135.8
[M+K]+ 352.73214 115.6
[M+H-H2O]+ 296.76624 136.5
[M+HCOO]- 358.76718 131.5
[M+CH3COO]- 372.78283 215.2
[M+Na-2H]- 334.74365 129.4
[M]+ 313.76843 162.0
[M]- 313.76953 162.0
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

patents stripe