CID 241446

4,5-dichloro-1,2,3,6-tetrahydropyridazine-3,6-dione

Structural Information

Molecular Formula

C₄H₂Cl₂N₂O₂

SMILES

C1(=C(C(=O)NNC1=O)Cl)Cl

InChI

InChI=1S/C4H2Cl2N2O2/c5-1-2(6)4(10)8-7-3(1)9/h(H,7,9)(H,8,10)

InChIKey

VNYHXKVIOVXVDB-UHFFFAOYSA-N

Compound name

4,5-dichloro-1,2-dihydropyridazine-3,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 36
Patents: 179.94933 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]+	180.95661	125.2
[M+Na]+	202.93855	138.0
[M-H]-	178.94205	123.9
[M+NH4]+	197.98315	143.0
[M+K]+	218.91249	132.0
[M+H-H2O]+	162.94659	121.0
[M+HCOO]-	224.94753	136.7
[M+CH3COO]-	238.96318	171.3
[M+Na-2H]-	200.92400	131.7
[M]+	179.94878	125.7
[M]-	179.94988	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe