CID 43179286

6-bromo-3-hydroxy-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula

C₈H₆BrNO₂

SMILES

C1=CC2=C(C=C1Br)NC(=O)C2O

InChI

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

InChIKey

VXOHMTIZHYANEN-UHFFFAOYSA-N

Compound name

6-bromo-3-hydroxy-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.95819 Da
Monoisotopic Mass: 0.9
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