CID 616099

3-bromoquinoline-2-carbonitrile

Structural Information

Molecular Formula

C₁₀H₅BrN₂

SMILES

C1=CC=C2C(=C1)C=C(C(=N2)C#N)Br

InChI

InChI=1S/C10H5BrN2/c11-8-5-7-3-1-2-4-9(7)13-10(8)6-12/h1-5H

InChIKey

HBLOASAMGUFRQN-UHFFFAOYSA-N

Compound name

3-bromoquinoline-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 231.96361 Da
Monoisotopic Mass: 2.9
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]+	232.97089	143.1
[M+Na]+	254.95283	149.1
[M+NH4]+	249.99743	146.3
[M+K]+	270.92677	144.4
[M-H]-	230.95633	138.5
[M+Na-2H]-	252.93828	146.0
[M]+	231.96306	141.0
[M]-	231.96416	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe