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
1
Annotation Hits

0
References

2887
Patents

259.9311 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.93838 144.6
[M+Na]+ 282.92032 156.9
[M-H]- 258.92382 145.1
[M+NH4]+ 277.96492 161.3
[M+K]+ 298.89426 150.9
[M+H-H2O]+ 242.92836 139.1
[M+HCOO]- 304.92930 150.5
[M+CH3COO]- 318.94495 156.6
[M+Na-2H]- 280.90577 150.5
[M]+ 259.93055 148.5
[M]- 259.93165 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe