CID 13487186

6-bromo-2-chloro-3-methylquinoxaline

Structural Information

Molecular Formula
C9H6BrClN2
SMILES
CC1=C(N=C2C=CC(=CC2=N1)Br)Cl
InChI
InChI=1S/C9H6BrClN2/c1-5-9(11)13-7-3-2-6(10)4-8(7)12-5/h2-4H,1H3
InChIKey
UQHNHWHCASOISS-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

255.94029 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.94757 140.8
[M+Na]+ 278.92951 156.2
[M-H]- 254.93301 146.0
[M+NH4]+ 273.97411 161.5
[M+K]+ 294.90345 143.1
[M+H-H2O]+ 238.93755 141.0
[M+HCOO]- 300.93849 155.9
[M+CH3COO]- 314.95414 156.4
[M+Na-2H]- 276.91496 150.8
[M]+ 255.93974 162.1
[M]- 255.94084 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe