CID 2735549

3-bromo-4-chloronitrobenzene

Structural Information

Molecular Formula

C₆H₃BrClNO₂

SMILES

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

InChI

InChI=1S/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

InChIKey

CGTVUAQWGSZCFH-UHFFFAOYSA-N

Compound name

2-bromo-1-chloro-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 325
Patents: 234.90356 Da
Monoisotopic Mass: 3.2
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]+	235.91084	138.9
[M+Na]+	257.89278	144.6
[M+NH4]+	252.93738	144.7
[M+K]+	273.86672	145.9
[M-H]-	233.89628	141.1
[M+Na-2H]-	255.87823	143.2
[M]+	234.90301	139.5
[M]-	234.90411	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe