CID 20225791

(3,6-dichloropyridazin-4-yl)methanol

Structural Information

Molecular Formula

C₅H₄Cl₂N₂O

SMILES

C1=C(C(=NN=C1Cl)Cl)CO

InChI

InChI=1S/C5H4Cl2N2O/c6-4-1-3(2-10)5(7)9-8-4/h1,10H,2H2

InChIKey

PGICESQILFHKHS-UHFFFAOYSA-N

Compound name

(3,6-dichloropyridazin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 177.97006 Da
Monoisotopic Mass: 0.9
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]+	178.97734	129.3
[M+Na]+	200.95928	144.5
[M+NH4]+	196.00388	137.8
[M+K]+	216.93322	137.6
[M-H]-	176.96278	130.0
[M+Na-2H]-	198.94473	136.8
[M]+	177.96951	132.2
[M]-	177.97061	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe