CID 211135

3-chloro-6-methylpyridazin-4-ol

Structural Information

Molecular Formula

C₅H₅ClN₂O

SMILES

CC1=CC(=O)C(=NN1)Cl

InChI

InChI=1S/C5H5ClN2O/c1-3-2-4(9)5(6)8-7-3/h2H,1H3,(H,7,9)

InChIKey

CNJDSVWNXQYOHL-UHFFFAOYSA-N

Compound name

3-chloro-6-methyl-1H-pyridazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 144.00903 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]+	145.01631	122.3
[M+Na]+	166.99825	133.9
[M-H]-	143.00175	122.6
[M+NH4]+	162.04285	141.8
[M+K]+	182.97219	129.9
[M+H-H2O]+	127.00629	116.9
[M+HCOO]-	189.00723	139.8
[M+CH3COO]-	203.02288	169.3
[M+Na-2H]-	164.98370	130.3
[M]+	144.00848	123.1
[M]-	144.00958	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe