CID 21907535

4-bromo-6-hydroxyisoindolin-1-one

Structural Information

Molecular Formula

C₈H₆BrNO₂

SMILES

C1C2=C(C=C(C=C2Br)O)C(=O)N1

InChI

InChI=1S/C8H6BrNO2/c9-7-2-4(11)1-5-6(7)3-10-8(5)12/h1-2,11H,3H2,(H,10,12)

InChIKey

BQPRSUFYMWPKEI-UHFFFAOYSA-N

Compound name

4-bromo-6-hydroxy-2,3-dihydroisoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 226.95819 Da
Monoisotopic Mass: 1.1
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]+	227.96547	143.6
[M+Na]+	249.94741	146.0
[M+NH4]+	244.99201	148.0
[M+K]+	265.92135	148.0
[M-H]-	225.95091	142.5
[M+Na-2H]-	247.93286	144.4
[M]+	226.95764	142.2
[M]-	226.95874	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe