CID 491331

Schembl19386336

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O

SMILES

CC(C)C1=NC2=C(C=CC(=C2)Cl)NC1=O

InChI

InChI=1S/C11H11ClN2O/c1-6(2)10-11(15)14-8-4-3-7(12)5-9(8)13-10/h3-6H,1-2H3,(H,14,15)

InChIKey

MNLYMXGNGQGDHJ-UHFFFAOYSA-N

Compound name

6-chloro-3-propan-2-yl-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 222.05598 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]+	223.06326	144.7
[M+Na]+	245.04520	155.9
[M-H]-	221.04870	145.7
[M+NH4]+	240.08980	162.2
[M+K]+	261.01914	150.1
[M+H-H2O]+	205.05324	138.4
[M+HCOO]-	267.05418	159.1
[M+CH3COO]-	281.06983	186.9
[M+Na-2H]-	243.03065	150.9
[M]+	222.05543	146.6
[M]-	222.05653	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe