CID 12257441

7-bromoisoquinoline

Structural Information

Molecular Formula
C9H6BrN
SMILES
C1=CC(=CC2=C1C=CN=C2)Br
InChI
InChI=1S/C9H6BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
InChIKey
KABRXLINDSPGDF-UHFFFAOYSA-N
Compound name
7-bromoisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17005
Patents

206.96835 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.97563 132.4
[M+Na]+ 229.95757 138.5
[M+NH4]+ 225.00217 139.1
[M+K]+ 245.93151 136.8
[M-H]- 205.96107 134.4
[M+Na-2H]- 227.94302 138.5
[M]+ 206.96780 132.8
[M]- 206.96890 132.8
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