CID 11471496

304468-42-6

Structural Information

Molecular Formula

C₁₃H₁₄BrNO

SMILES

C1CCC2(CC1)C3=C(C=CC(=C3)Br)NC2=O

InChI

InChI=1S/C13H14BrNO/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)

InChIKey

MOCOBMQLHAVEMT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 279.02588 Da
Monoisotopic Mass: 3.4
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]+	280.03316	160.4
[M+Na]+	302.01510	162.7
[M+NH4]+	297.05970	167.2
[M+K]+	317.98904	161.4
[M-H]-	278.01860	161.5
[M+Na-2H]-	300.00055	163.0
[M]+	279.02533	159.9
[M]-	279.02643	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe