CID 6409849

65202-51-9

Structural Information

Molecular Formula

C₅H₃BrN₂O₂

SMILES

C1=CC(=NN=C1C(=O)O)Br

InChI

InChI=1S/C5H3BrN2O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H,9,10)

InChIKey

QYLYERSOVJIZLK-UHFFFAOYSA-N

Compound name

6-bromopyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 201.93779 Da
Monoisotopic Mass: 0.7
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]+	202.94507	127.6
[M+Na]+	224.92701	140.2
[M-H]-	200.93051	130.7
[M+NH4]+	219.97161	147.2
[M+K]+	240.90095	129.9
[M+H-H2O]+	184.93505	127.4
[M+HCOO]-	246.93599	146.8
[M+CH3COO]-	260.95164	178.0
[M+Na-2H]-	222.91246	136.9
[M]+	201.93724	145.9
[M]-	201.93834	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe