CID 160240

34790-06-2

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O

SMILES

C1CNC(=O)N(C1)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O/c12-9-3-2-8(6-10(9)13)7-15-5-1-4-14-11(15)16/h2-3,6H,1,4-5,7H2,(H,14,16)

InChIKey

FZZIZWYKUWSBAM-UHFFFAOYSA-N

Compound name

1-[(3,4-dichlorophenyl)methyl]-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 258.03265 Da
Monoisotopic Mass: 2.4
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]+	259.03993	154.0
[M+Na]+	281.02187	162.4
[M-H]-	257.02537	155.3
[M+NH4]+	276.06647	168.7
[M+K]+	296.99581	155.7
[M+H-H2O]+	241.02991	146.9
[M+HCOO]-	303.03085	161.4
[M+CH3COO]-	317.04650	164.4
[M+Na-2H]-	279.00732	156.7
[M]+	258.03210	151.7
[M]-	258.03320	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe