CID 352733

89089-14-5

Structural Information

Molecular Formula

C₄HCl₃N₂O

SMILES

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

InChI

InChI=1S/C4HCl3N2O/c5-2-1-8-9(7)4(10)3(2)6/h1H

InChIKey

TYVNCWJMACHFGT-UHFFFAOYSA-N

Compound name

2,4,5-trichloropyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 197.91545 Da
Monoisotopic Mass: 1.8
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]+	198.92273	127.8
[M+Na]+	220.90467	140.8
[M-H]-	196.90817	127.7
[M+NH4]+	215.94927	146.1
[M+K]+	236.87861	135.9
[M+H-H2O]+	180.91271	123.2
[M+HCOO]-	242.91365	136.1
[M+CH3COO]-	256.92930	180.8
[M+Na-2H]-	218.89012	134.1
[M]+	197.91490	131.0
[M]-	197.91600	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe