CID 560641

2,3-dichloro-6-methylquinoxaline

Structural Information

Molecular Formula
C9H6Cl2N2
SMILES
CC1=CC2=C(C=C1)N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2/c1-5-2-3-6-7(4-5)13-9(11)8(10)12-6/h2-4H,1H3
InChIKey
UWSAFTDEEVGSAC-UHFFFAOYSA-N
Compound name
2,3-dichloro-6-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

211.9908 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.998076 138.3
[M+Na]+ 234.980018 151.0
[M-H]- 210.983524 139.8
[M+NH4]+ 230.024623 157.3
[M+K]+ 250.953958 145.0
[M+H-H2O]+ 194.988060 132.3
[M+HCOO]- 256.989001 150.1
[M+CH3COO]- 271.004651 151.7
[M+Na-2H]- 232.965466 146.3
[M]+ 211.99025142 142.0
[M]- 211.99134858 142.0
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