CID 10470993

91713-91-6

Structural Information

Molecular Formula

C₁₅H₁₀BrNO₂

SMILES

C1C2=C(C(=CC=C2)C(=O)C3=CC=C(C=C3)Br)NC1=O

InChI

InChI=1S/C15H10BrNO2/c16-11-6-4-9(5-7-11)15(19)12-3-1-2-10-8-13(18)17-14(10)12/h1-7H,8H2,(H,17,18)

InChIKey

JDSPXIPYMUGSIJ-UHFFFAOYSA-N

Compound name

7-(4-bromobenzoyl)-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 314.9895 Da
Monoisotopic Mass: 2.8
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]+	315.996776	165.2
[M+Na]+	337.978718	176.7
[M-H]-	313.982224	173.0
[M+NH4]+	333.023323	184.1
[M+K]+	353.952658	164.1
[M+H-H2O]+	297.986760	164.6
[M+HCOO]-	359.987701	183.0
[M+CH3COO]-	374.003351	178.6
[M+Na-2H]-	335.964166	169.0
[M]+	314.98895142	182.1
[M]-	314.99004858	182.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe