CID 59286298

6-bromo-7-methylquinoxaline

Structural Information

Molecular Formula
C9H7BrN2
SMILES
CC1=CC2=NC=CN=C2C=C1Br
InChI
InChI=1S/C9H7BrN2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h2-5H,1H3
InChIKey
HOEDWTAFUPBYQH-UHFFFAOYSA-N
Compound name
6-bromo-7-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

No literature data available for this compound.

Patent stripe

patents stripe