CID 4625493

5-(4-bromophenyl)furan-2-carbonitrile

Structural Information

Molecular Formula

C₁₁H₆BrNO

SMILES

C1=CC(=CC=C1C2=CC=C(O2)C#N)Br

InChI

InChI=1S/C11H6BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H

InChIKey

GJJXDBAOTCRRSG-UHFFFAOYSA-N

Compound name

5-(4-bromophenyl)furan-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 246.96329 Da
Monoisotopic Mass: 3.4
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]+	247.97057	148.6
[M+Na]+	269.95251	153.8
[M+NH4]+	264.99711	151.4
[M+K]+	285.92645	150.9
[M-H]-	245.95601	145.6
[M+Na-2H]-	267.93796	151.3
[M]+	246.96274	146.9
[M]-	246.96384	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe