CID 23555

Bromonitrostyrene

Structural Information

Molecular Formula

C₈H₆BrNO₂

SMILES

C1=CC=C(C=C1)C=C([N+](=O)[O-])Br

InChI

InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H

InChIKey

SKDNDVDHYMEGNJ-UHFFFAOYSA-N

Compound name

(2-bromo-2-nitroethenyl)benzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 1680
Patents: 226.95819 Da
Monoisotopic Mass: 3.0
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]+	227.96547	140.2
[M+Na]+	249.94741	143.9
[M+NH4]+	244.99201	145.1
[M+K]+	265.92135	146.0
[M-H]-	225.95091	141.8
[M+Na-2H]-	247.93286	144.0
[M]+	226.95764	139.9
[M]-	226.95874	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe