CID 12044973

304876-16-2

Structural Information

Molecular Formula

C₁₂H₁₂BrNO

SMILES

C1CCC2(C1)C3=C(C=CC(=C3)Br)NC2=O

InChI

InChI=1S/C12H12BrNO/c13-8-3-4-10-9(7-8)12(11(15)14-10)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)

InChIKey

DSJAYULUMZHCII-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 265.01022 Da
Monoisotopic Mass: 2.9
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]+	266.01750	157.2
[M+Na]+	287.99944	169.4
[M-H]-	264.00294	164.3
[M+NH4]+	283.04404	182.3
[M+K]+	303.97338	157.3
[M+H-H2O]+	248.00748	158.3
[M+HCOO]-	310.00842	174.9
[M+CH3COO]-	324.02407	171.5
[M+Na-2H]-	285.98489	161.3
[M]+	265.00967	171.9
[M]-	265.01077	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe