CID 614287

6-bromo-2-methylquinoxaline

Structural Information

Molecular Formula
C9H7BrN2
SMILES
CC1=CN=C2C=C(C=CC2=N1)Br
InChI
InChI=1S/C9H7BrN2/c1-6-5-11-9-4-7(10)2-3-8(9)12-6/h2-5H,1H3
InChIKey
RGJZVJSYOCQGSB-UHFFFAOYSA-N
Compound name
6-bromo-2-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

221.97926 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98654 136.5
[M+Na]+ 244.96848 150.2
[M-H]- 220.97198 141.6
[M+NH4]+ 240.01308 157.4
[M+K]+ 260.94242 138.8
[M+H-H2O]+ 204.97652 136.1
[M+HCOO]- 266.97746 156.1
[M+CH3COO]- 280.99311 152.1
[M+Na-2H]- 242.95393 147.6
[M]+ 221.97871 155.7
[M]- 221.97981 155.7
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