CID 53485260

6-bromo-4,5-dichloro-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C4HBrCl2N2O
SMILES
C1(=C(C(=NNC1=O)Br)Cl)Cl
InChI
InChI=1S/C4HBrCl2N2O/c5-3-1(6)2(7)4(10)9-8-3/h(H,9,10)
InChIKey
CIXBFXGEDMRWSN-UHFFFAOYSA-N
Compound name
3-bromo-4,5-dichloro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

241.86493 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.87221 127.5
[M+Na]+ 264.85415 143.8
[M-H]- 240.85765 130.4
[M+NH4]+ 259.89875 147.4
[M+K]+ 280.82809 129.7
[M+H-H2O]+ 224.86219 128.9
[M+HCOO]- 286.86313 138.3
[M+CH3COO]- 300.87878 182.9
[M+Na-2H]- 262.83960 136.1
[M]+ 241.86438 147.5
[M]- 241.86548 147.5
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