CID 52988055

5-bromo-1,2-dihydrospiro[indole-3,4'-oxane]-2-one

Structural Information

Molecular Formula

C₁₂H₁₂BrNO₂

SMILES

C1COCCC12C3=C(C=CC(=C3)Br)NC2=O

InChI

InChI=1S/C12H12BrNO2/c13-8-1-2-10-9(7-8)12(11(15)14-10)3-5-16-6-4-12/h1-2,7H,3-6H2,(H,14,15)

InChIKey

GEYZZDOKMLGPLQ-UHFFFAOYSA-N

Compound name

5-bromospiro[1H-indole-3,4'-oxane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 281.00513 Da
Monoisotopic Mass: 1.7
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]+	282.012406	157.0
[M+Na]+	303.994348	168.0
[M-H]-	279.997854	164.0
[M+NH4]+	299.038953	178.3
[M+K]+	319.968288	157.3
[M+H-H2O]+	264.002390	157.5
[M+HCOO]-	326.003331	171.7
[M+CH3COO]-	340.018981	170.6
[M+Na-2H]-	301.979796	163.5
[M]+	281.00458142	171.6
[M]-	281.00567858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe