CID 74714

1919-43-3

Structural Information

Molecular Formula

C₉H₃Cl₃N₂O

SMILES

C1=CC2=C(C=C1C(=O)Cl)N=C(C(=N2)Cl)Cl

InChI

InChI=1S/C9H3Cl3N2O/c10-7-8(11)14-6-3-4(9(12)15)1-2-5(6)13-7/h1-3H

InChIKey

NGCRLFIYVFOUMZ-UHFFFAOYSA-N

Compound name

2,3-dichloroquinoxaline-6-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2248
Patents: 259.9311 Da
Monoisotopic Mass: 3.6
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]+	260.938376	144.6
[M+Na]+	282.920318	156.9
[M-H]-	258.923824	145.1
[M+NH4]+	277.964923	161.3
[M+K]+	298.894258	150.9
[M+H-H2O]+	242.928360	139.1
[M+HCOO]-	304.929301	150.5
[M+CH3COO]-	318.944951	156.6
[M+Na-2H]-	280.905766	150.5
[M]+	259.93055142	148.5
[M]-	259.93164858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe