CID 12448078

6-bromo-4-chlorocinnoline

Structural Information

Molecular Formula
C8H4BrClN2
SMILES
C1=CC2=C(C=C1Br)C(=CN=N2)Cl
InChI
InChI=1S/C8H4BrClN2/c9-5-1-2-8-6(3-5)7(10)4-11-12-8/h1-4H
InChIKey
WAKDQKOZUBTOEX-UHFFFAOYSA-N
Compound name
6-bromo-4-chlorocinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

241.92464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93192 139.1
[M+Na]+ 264.91386 146.3
[M+NH4]+ 259.95846 145.4
[M+K]+ 280.88780 144.2
[M-H]- 240.91736 140.5
[M+Na-2H]- 262.89931 144.8
[M]+ 241.92409 139.8
[M]- 241.92519 139.8
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