CID 6403196

Trichloropyridazin-4-amine

Structural Information

Molecular Formula

C₄H₂Cl₃N₃

SMILES

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

InChI

InChI=1S/C4H2Cl3N3/c5-1-2(8)4(7)10-9-3(1)6/h(H2,8,9)

InChIKey

NUGBPWSBRRGGKD-UHFFFAOYSA-N

Compound name

3,5,6-trichloropyridazin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.93143 Da
Monoisotopic Mass: 1.7
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]+	197.93871	132.3
[M+Na]+	219.92065	144.2
[M-H]-	195.92415	131.5
[M+NH4]+	214.96525	150.1
[M+K]+	235.89459	138.9
[M+H-H2O]+	179.92869	127.6
[M+HCOO]-	241.92963	140.6
[M+CH3COO]-	255.94528	183.6
[M+Na-2H]-	217.90610	137.7
[M]+	196.93088	133.1
[M]-	196.93198	133.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.