CID 79777070

90772-28-4

Structural Information

Molecular Formula

C₁₀H₉BrN₂O₂

SMILES

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

InChI

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

InChIKey

QBQRRWPLTOBGST-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
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]+	268.99202	150.6
[M+Na]+	290.97396	154.1
[M+NH4]+	286.01856	154.3
[M+K]+	306.94790	154.2
[M-H]-	266.97746	151.0
[M+Na-2H]-	288.95941	153.8
[M]+	267.98419	149.8
[M]-	267.98529	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe