CID 83680573

4-bromo-6-chloro-3-methoxypyridazine

Structural Information

Molecular Formula
C5H4BrClN2O
SMILES
COC1=NN=C(C=C1Br)Cl
InChI
InChI=1S/C5H4BrClN2O/c1-10-5-3(6)2-4(7)8-9-5/h2H,1H3
InChIKey
YJSKEMKLLDTJHJ-UHFFFAOYSA-N
Compound name
4-bromo-6-chloro-3-methoxypyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.91956 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.926836 128.6
[M+Na]+ 244.908778 143.6
[M-H]- 220.912284 133.0
[M+NH4]+ 239.953383 149.5
[M+K]+ 260.882718 132.0
[M+H-H2O]+ 204.916820 129.0
[M+HCOO]- 266.917761 145.3
[M+CH3COO]- 280.933411 183.3
[M+Na-2H]- 242.894226 138.6
[M]+ 221.91901142 150.5
[M]- 221.92010858 150.5
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