CID 101451

3,5-dibromobenzene-1,2-diamine

Structural Information

Molecular Formula

C₆H₆Br₂N₂

SMILES

C1=C(C=C(C(=C1N)N)Br)Br

InChI

InChI=1S/C6H6Br2N2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,9-10H2

InChIKey

BABDSAMUOCWCNS-UHFFFAOYSA-N

Compound name

3,5-dibromobenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 128
Patents: 263.88977 Da
Monoisotopic Mass: 1.9
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]+	264.89705	135.5
[M+Na]+	286.87899	146.4
[M-H]-	262.88249	141.7
[M+NH4]+	281.92359	154.8
[M+K]+	302.85293	129.6
[M+H-H2O]+	246.88703	141.8
[M+HCOO]-	308.88797	152.8
[M+CH3COO]-	322.90362	202.1
[M+Na-2H]-	284.86444	141.7
[M]+	263.88922	166.0
[M]-	263.89032	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe