CID 71743438

1378865-57-6

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

C1CC12C3=C(C=C(C=C3)Br)NC2=O

InChI

InChI=1S/C10H8BrNO/c11-6-1-2-7-8(5-6)12-9(13)10(7)3-4-10/h1-2,5H,3-4H2,(H,12,13)

InChIKey

OQBQBDOESUSKEE-UHFFFAOYSA-N

Compound name

6-bromospiro[1H-indole-3,1'-cyclopropane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 236.97893 Da
Monoisotopic Mass: 1.8
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]+	237.98621	148.1
[M+Na]+	259.96815	163.5
[M-H]-	235.97165	156.1
[M+NH4]+	255.01275	168.1
[M+K]+	275.94209	151.0
[M+H-H2O]+	219.97619	149.1
[M+HCOO]-	281.97713	166.7
[M+CH3COO]-	295.99278	163.0
[M+Na-2H]-	257.95360	155.7
[M]+	236.97838	166.8
[M]-	236.97948	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe