CID 45117038

8-bromoisoquinolin-7-olhydrobromide

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC(=C(C2=C1C=CN=C2)Br)O
InChI
InChI=1S/C9H6BrNO/c10-9-7-5-11-4-3-6(7)1-2-8(9)12/h1-5,12H
InChIKey
IWMFRPFEEWSQIY-UHFFFAOYSA-N
Compound name
8-bromoisoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

222.96329 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 136.5
[M+Na]+ 245.95251 142.1
[M+NH4]+ 240.99711 142.4
[M+K]+ 261.92645 141.2
[M-H]- 221.95601 137.7
[M+Na-2H]- 243.93796 141.4
[M]+ 222.96274 136.6
[M]- 222.96384 136.6
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