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: 0
Patents: 221.91956 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.92684	128.6
[M+Na]+	244.90878	143.6
[M-H]-	220.91228	133.0
[M+NH4]+	239.95338	149.5
[M+K]+	260.88272	132.0
[M+H-H2O]+	204.91682	129.0
[M+HCOO]-	266.91776	145.3
[M+CH3COO]-	280.93341	183.3
[M+Na-2H]-	242.89423	138.6
[M]+	221.91901	150.5
[M]-	221.92011	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.