CID 93341

Diclomezine

Structural Information

Molecular Formula

C₁₁H₈Cl₂N₂O

SMILES

CC1=C(C=C(C=C1Cl)C2=NNC(=O)C=C2)Cl

InChI

InChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5H,1H3,(H,15,16)

InChIKey

UWQMKVBQKFHLCE-UHFFFAOYSA-N

Compound name

3-(3,5-dichloro-4-methylphenyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 22248
Patents: 254.00137 Da
Monoisotopic Mass: 2.9
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]+	255.00865	149.0
[M+Na]+	276.99059	161.4
[M-H]-	252.99409	151.8
[M+NH4]+	272.03519	164.5
[M+K]+	292.96453	154.1
[M+H-H2O]+	236.99863	142.3
[M+HCOO]-	298.99957	160.6
[M+CH3COO]-	313.01522	161.4
[M+Na-2H]-	274.97604	154.0
[M]+	254.00082	151.5
[M]-	254.00192	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe