CID 79777240

1510379-35-7

Structural Information

Molecular Formula

C₁₀H₉BrN₂O₂

SMILES

C1CN(C(=O)NC1=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(14)12-10(13)15/h1-3,6H,4-5H2,(H,12,14,15)

InChIKey

AYGUPHLDAAJIAT-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 267.98474 Da
Monoisotopic Mass: 1.3
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]+	268.992016	148.5
[M+Na]+	290.973958	159.3
[M-H]-	266.977464	153.7
[M+NH4]+	286.018563	165.3
[M+K]+	306.947898	147.3
[M+H-H2O]+	250.982000	147.3
[M+HCOO]-	312.982941	164.4
[M+CH3COO]-	326.998591	189.8
[M+Na-2H]-	288.959406	154.2
[M]+	267.98419142	162.7
[M]-	267.98528858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe