CID 59216474

4-bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C5H4BrClN2O
SMILES
CN1C(=O)C(=CC(=N1)Cl)Br
InChI
InChI=1S/C5H4BrClN2O/c1-9-5(10)3(6)2-4(7)8-9/h2H,1H3
InChIKey
HXCPMIRSWJJTGV-UHFFFAOYSA-N
Compound name
4-bromo-6-chloro-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

221.91956 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.926836 127.2
[M+Na]+ 244.908778 143.2
[M-H]- 220.912284 132.0
[M+NH4]+ 239.953383 148.3
[M+K]+ 260.882718 131.0
[M+H-H2O]+ 204.916820 127.8
[M+HCOO]- 266.917761 144.1
[M+CH3COO]- 280.933411 183.6
[M+Na-2H]- 242.894226 136.5
[M]+ 221.91901142 148.8
[M]- 221.92010858 148.8
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