CID 252887

1501-41-3

Structural Information

Molecular Formula

C₁₀H₉BrN₂O

SMILES

CN1C2=CC=CC=C2N=C(C1=O)CBr

InChI

InChI=1S/C10H9BrN2O/c1-13-9-5-3-2-4-7(9)12-8(6-11)10(13)14/h2-5H,6H2,1H3

InChIKey

UADIEAODWPWLFL-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-1-methylquinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 251.98982 Da
Monoisotopic Mass: 1.7
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]+	252.99710	144.3
[M+Na]+	274.97904	150.2
[M+NH4]+	270.02364	149.3
[M+K]+	290.95298	149.1
[M-H]-	250.98254	144.9
[M+Na-2H]-	272.96449	148.6
[M]+	251.98927	144.2
[M]-	251.99037	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe