CID 2916909

49615-94-3

Structural Information

Molecular Formula

C₁₅H₁₀BrNO₂

SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Br)N

InChI

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

InChIKey

YTPPDEUSISZRMO-UHFFFAOYSA-N

Compound name

(3-amino-1-benzofuran-2-yl)-(4-bromophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 314.9895 Da
Monoisotopic Mass: 4.6
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]+	315.996776	166.0
[M+Na]+	337.978718	178.7
[M-H]-	313.982224	177.1
[M+NH4]+	333.023323	185.3
[M+K]+	353.952658	167.7
[M+H-H2O]+	297.986760	165.2
[M+HCOO]-	359.987701	188.3
[M+CH3COO]-	374.003351	180.9
[M+Na-2H]-	335.964166	172.0
[M]+	314.98895142	186.4
[M]-	314.99004858	186.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.