CID 69107

4-amino-2,6-dibromophenol

Structural Information

Molecular Formula

C₆H₅Br₂NO

SMILES

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

InChI

InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2

InChIKey

HFYPXERYZGFDBD-UHFFFAOYSA-N

Compound name

4-amino-2,6-dibromophenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 947
Patents: 264.87378 Da
Monoisotopic Mass: 3.1
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]+	265.88106	133.8
[M+Na]+	287.86300	145.1
[M-H]-	263.86650	139.5
[M+NH4]+	282.90760	153.1
[M+K]+	303.83694	128.8
[M+H-H2O]+	247.87104	141.1
[M+HCOO]-	309.87198	150.0
[M+CH3COO]-	323.88763	198.4
[M+Na-2H]-	285.84845	140.4
[M]+	264.87323	165.5
[M]-	264.87433	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe