CID 625286

2,6-dibromo-4-chloroaniline

Structural Information

Molecular Formula

C₆H₄Br₂ClN

SMILES

C1=C(C=C(C(=C1Br)N)Br)Cl

InChI

InChI=1S/C6H4Br2ClN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2

InChIKey

XEYLQXUJSOJWJV-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-chloroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 225
Patents: 282.8399 Da
Monoisotopic Mass: 3.3
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]+	283.84718	136.0
[M+Na]+	305.82912	149.1
[M-H]-	281.83262	142.9
[M+NH4]+	300.87372	156.3
[M+K]+	321.80306	131.3
[M+H-H2O]+	265.83716	144.3
[M+HCOO]-	327.83810	149.7
[M+CH3COO]-	341.85375	201.7
[M+Na-2H]-	303.81457	143.0
[M]+	282.83935	169.6
[M]-	282.84045	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe