CID 2804937

5-bromo-3-hydroxy-2-indolinone

Structural Information

Molecular Formula

C₈H₆BrNO₂

SMILES

C1=CC2=C(C=C1Br)C(C(=O)N2)O

InChI

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

InChIKey

MLPDUEVGLOZRJI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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

literature stripe

Patent stripe

patents stripe