CID 3059886

77385-02-5

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O₂

SMILES

CN1CCC(=O)N(C1=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C11H11ClN2O2/c1-13-7-6-10(15)14(11(13)16)9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3

InChIKey

VPRDYEWQGKZTHL-UHFFFAOYSA-N

Compound name

3-(2-chlorophenyl)-1-methyl-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 238.0509 Da
Monoisotopic Mass: 1.4
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]+	239.05818	149.7
[M+Na]+	261.04012	159.4
[M-H]-	237.04362	153.7
[M+NH4]+	256.08472	165.7
[M+K]+	277.01406	154.8
[M+H-H2O]+	221.04816	142.1
[M+HCOO]-	283.04910	164.2
[M+CH3COO]-	297.06475	190.2
[M+Na-2H]-	259.02557	153.0
[M]+	238.05035	149.4
[M]-	238.05145	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe