CID 54594171

2-bromo-3-methylquinoxaline

Structural Information

Molecular Formula
C9H7BrN2
SMILES
CC1=NC2=CC=CC=C2N=C1Br
InChI
InChI=1S/C9H7BrN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
InChIKey
YBJFSDXUCGYJSK-UHFFFAOYSA-N
Compound name
2-bromo-3-methylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

221.97926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.986536 136.5
[M+Na]+ 244.968478 150.2
[M-H]- 220.971984 141.6
[M+NH4]+ 240.013083 157.4
[M+K]+ 260.942418 138.8
[M+H-H2O]+ 204.976520 136.1
[M+HCOO]- 266.977461 156.1
[M+CH3COO]- 280.993111 152.1
[M+Na-2H]- 242.953926 147.6
[M]+ 221.97871142 155.7
[M]- 221.97980858 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