CID 68991950

5'-bromospiro[cyclopropane-1,3'-indolin]-2'-one

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

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

InChI

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

InChIKey

MLDCRGSPMVDRHI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
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]+	237.986206	148.1
[M+Na]+	259.968148	163.5
[M-H]-	235.971654	156.1
[M+NH4]+	255.012753	168.1
[M+K]+	275.942088	151.0
[M+H-H2O]+	219.976190	149.1
[M+HCOO]-	281.977131	166.7
[M+CH3COO]-	295.992781	163.0
[M+Na-2H]-	257.953596	155.7
[M]+	236.97838142	166.8
[M]-	236.97947858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe