CID 688305

2-amino-3,5-dibromobenzaldehyde

Structural Information

Molecular Formula

C₇H₅Br₂NO

SMILES

C1=C(C=C(C(=C1C=O)N)Br)Br

InChI

InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2

InChIKey

RCPAZWISSAVDEA-UHFFFAOYSA-N

Compound name

2-amino-3,5-dibromobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 250
Patents: 276.87378 Da
Monoisotopic Mass: 2.6
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]+	277.88106	134.9
[M+Na]+	299.86300	146.6
[M-H]-	275.86650	141.6
[M+NH4]+	294.90760	154.4
[M+K]+	315.83694	130.4
[M+H-H2O]+	259.87104	142.2
[M+HCOO]-	321.87198	152.3
[M+CH3COO]-	335.88763	202.0
[M+Na-2H]-	297.84845	141.8
[M]+	276.87323	167.9
[M]-	276.87433	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.