CID 33726489

4,5-dibromopyridazine

Structural Information

Molecular Formula
C4H2Br2N2
SMILES
C1=C(C(=CN=N1)Br)Br
InChI
InChI=1S/C4H2Br2N2/c5-3-1-7-8-2-4(3)6/h1-2H
InChIKey
JKXWYINFVKOAIC-UHFFFAOYSA-N
Compound name
4,5-dibromopyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

235.85847 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.86575 119.0
[M+Na]+ 258.84769 131.5
[M-H]- 234.85119 124.3
[M+NH4]+ 253.89229 138.4
[M+K]+ 274.82163 116.9
[M+H-H2O]+ 218.85573 127.5
[M+HCOO]- 280.85667 135.3
[M+CH3COO]- 294.87232 193.6
[M+Na-2H]- 256.83314 130.1
[M]+ 235.85792 152.9
[M]- 235.85902 153.0
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