CID 203012

13645-74-4

Structural Information

Molecular Formula

C₅H₄Br₂N₂O

SMILES

CN1C(=O)C(=C(C=N1)Br)Br

InChI

InChI=1S/C5H4Br2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3

InChIKey

SLVVMPLOQDFREV-UHFFFAOYSA-N

Compound name

4,5-dibromo-2-methylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 41
Patents: 265.86905 Da
Monoisotopic Mass: 1.3
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]+	266.87633	122.8
[M+Na]+	288.85827	136.4
[M-H]-	264.86177	128.5
[M+NH4]+	283.90287	141.7
[M+K]+	304.83221	121.4
[M+H-H2O]+	248.86631	131.1
[M+HCOO]-	310.86725	139.1
[M+CH3COO]-	324.88290	198.4
[M+Na-2H]-	286.84372	132.4
[M]+	265.86850	158.1
[M]-	265.86960	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe