CID 14928442

6-amino-5-bromoquinoxaline

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CC2=NC=CN=C2C(=C1N)Br
InChI
InChI=1S/C8H6BrN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2
InChIKey
IRAOSCSPAYZRJE-UHFFFAOYSA-N
Compound name
5-bromoquinoxalin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

169
Patents

222.9745 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.98178 136.2
[M+Na]+ 245.96372 149.4
[M-H]- 221.96722 140.9
[M+NH4]+ 241.00832 156.4
[M+K]+ 261.93766 137.5
[M+H-H2O]+ 205.97176 135.3
[M+HCOO]- 267.97270 156.5
[M+CH3COO]- 281.98835 151.4
[M+Na-2H]- 243.94917 147.2
[M]+ 222.97395 153.5
[M]- 222.97505 153.5
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