CID 19792063

5-chloropyridazine-3-carboxylic acid

Structural Information

Molecular Formula

C₅H₃ClN₂O₂

SMILES

C1=C(C=NN=C1C(=O)O)Cl

InChI

InChI=1S/C5H3ClN2O2/c6-3-1-4(5(9)10)8-7-2-3/h1-2H,(H,9,10)

InChIKey

SXGAJPAGCWQZSD-UHFFFAOYSA-N

Compound name

5-chloropyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 157.98831 Da
Monoisotopic Mass: 0.3
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]+	158.99559	125.9
[M+Na]+	180.97753	139.6
[M+NH4]+	176.02213	133.5
[M+K]+	196.95147	134.4
[M-H]-	156.98103	125.8
[M+Na-2H]-	178.96298	132.8
[M]+	157.98776	128.0
[M]-	157.98886	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe