CID 124428811

Bromoanaindolone

Structural Information

Molecular Formula

C₉H₈BrNO₂

SMILES

C[C@]1(C2=C(C=C(C=C2)Br)NC1=O)O

InChI

InChI=1S/C9H8BrNO2/c1-9(13)6-3-2-5(10)4-7(6)11-8(9)12/h2-4,13H,1H3,(H,11,12)/t9-/m1/s1

InChIKey

IGRQAUGYEAXYJY-SECBINFHSA-N

Compound name

(3R)-6-bromo-3-hydroxy-3-methyl-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.97385 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]+	241.98113	143.0
[M+Na]+	263.96307	156.8
[M-H]-	239.96657	147.3
[M+NH4]+	259.00767	166.8
[M+K]+	279.93701	144.6
[M+H-H2O]+	223.97111	144.7
[M+HCOO]-	285.97205	160.9
[M+CH3COO]-	299.98770	183.3
[M+Na-2H]-	261.94852	150.0
[M]+	240.97330	160.4
[M]-	240.97440	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe