CID 69464452

304876-39-9

Structural Information

Molecular Formula

C₁₁H₁₀BrNO

SMILES

C1CC2(C1)C3=C(C=CC(=C3)Br)NC2=O

InChI

InChI=1S/C11H10BrNO/c12-7-2-3-9-8(6-7)11(4-1-5-11)10(14)13-9/h2-3,6H,1,4-5H2,(H,13,14)

InChIKey

OGJCYNMPDRGBDF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 250.99458 Da
Monoisotopic Mass: 2.3
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]+	252.001856	139.7
[M+Na]+	273.983798	151.3
[M-H]-	249.987304	146.8
[M+NH4]+	269.028403	157.8
[M+K]+	289.957738	142.3
[M+H-H2O]+	233.991840	136.7
[M+HCOO]-	295.992781	157.0
[M+CH3COO]-	310.008431	154.4
[M+Na-2H]-	271.969246	147.2
[M]+	250.99403142	163.5
[M]-	250.99512858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe