CID 11221538

136630-36-9

Structural Information

Molecular Formula

C₁₂H₁₀Br₂N₂

SMILES

C1=CC(=C(C=C1Br)N)C2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C12H10Br2N2/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,15-16H2

InChIKey

KZDMFBDNQPKWNM-UHFFFAOYSA-N

Compound name

2-(2-amino-4-bromophenyl)-5-bromoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 339.92108 Da
Monoisotopic Mass: 3.6
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]+	340.92836	155.2
[M+Na]+	362.91030	165.2
[M-H]-	338.91380	163.5
[M+NH4]+	357.95490	171.9
[M+K]+	378.88424	148.0
[M+H-H2O]+	322.91834	160.9
[M+HCOO]-	384.91928	172.0
[M+CH3COO]-	398.93493	213.4
[M+Na-2H]-	360.89575	159.9
[M]+	339.92053	185.9
[M]-	339.92163	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe