CID 105541345

4-bromo-2,3-dihydrospiro[indene-1,3'-pyrrolidine]-2',5'-dione

Structural Information

Molecular Formula

C₁₂H₁₀BrNO₂

SMILES

C1CC2(CC(=O)NC2=O)C3=C1C(=CC=C3)Br

InChI

InChI=1S/C12H10BrNO2/c13-9-3-1-2-8-7(9)4-5-12(8)6-10(15)14-11(12)16/h1-3H,4-6H2,(H,14,15,16)

InChIKey

IRXDCBBMUNWZFN-UHFFFAOYSA-N

Compound name

7-bromospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 278.9895 Da
Monoisotopic Mass: 1.6
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]+	279.996776	157.9
[M+Na]+	301.978718	171.0
[M-H]-	277.982224	165.3
[M+NH4]+	297.023323	182.6
[M+K]+	317.952658	158.8
[M+H-H2O]+	261.986760	159.2
[M+HCOO]-	323.987701	175.9
[M+CH3COO]-	338.003351	172.4
[M+Na-2H]-	299.964166	161.7
[M]+	278.98895142	173.7
[M]-	278.99004858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe