CID 89644275

1445564-00-0

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C2=C1C(=O)NC=C2)F)Br

InChI

InChI=1S/C9H5BrFNO/c10-7-2-1-6-5(8(7)11)3-4-12-9(6)13/h1-4H,(H,12,13)

InChIKey

KOZJUQFJIAHTKQ-UHFFFAOYSA-N

Compound name

6-bromo-5-fluoro-2H-isoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 240.95386 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.96114	141.7
[M+Na]+	263.94308	146.7
[M+NH4]+	258.98768	146.5
[M+K]+	279.91702	145.7
[M-H]-	239.94658	141.3
[M+Na-2H]-	261.92853	145.3
[M]+	240.95331	141.1
[M]-	240.95441	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe