CID 22268240

7-bromoisoquinolin-3-ol

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC(=CC2=CNC(=O)C=C21)Br
InChI
InChI=1S/C9H6BrNO/c10-8-2-1-6-4-9(12)11-5-7(6)3-8/h1-5H,(H,11,12)
InChIKey
BRRWUDMFAZPPKR-UHFFFAOYSA-N
Compound name
7-bromo-2H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

222.96329 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 135.7
[M+Na]+ 245.95251 141.2
[M+NH4]+ 240.99711 141.3
[M+K]+ 261.92645 140.3
[M-H]- 221.95601 136.6
[M+Na-2H]- 243.93796 140.4
[M]+ 222.96274 135.6
[M]- 222.96384 135.6
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