CID 4913253

7-bromo-2-chloroquinoxaline

Structural Information

Molecular Formula
C8H4BrClN2
SMILES
C1=CC2=NC=C(N=C2C=C1Br)Cl
InChI
InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(3-5)12-8(10)4-11-6/h1-4H
InChIKey
AZUMKBQKUXTHCM-UHFFFAOYSA-N
Compound name
7-bromo-2-chloroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

401
Patents

241.92464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93192 136.1
[M+Na]+ 264.91386 151.2
[M-H]- 240.91736 141.2
[M+NH4]+ 259.95846 157.1
[M+K]+ 280.88780 138.3
[M+H-H2O]+ 224.92190 136.4
[M+HCOO]- 286.92284 151.6
[M+CH3COO]- 300.93849 151.9
[M+Na-2H]- 262.89931 147.4
[M]+ 241.92409 156.8
[M]- 241.92519 156.8
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