CID 23055122

Schembl9159102

Structural Information

Molecular Formula

C₆H₅Br₂NO

SMILES

C1=CC(=C(C(=C1N)Br)Br)O

InChI

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

InChIKey

RSZCZDNKFBGUTF-UHFFFAOYSA-N

Compound name

4-amino-2,3-dibromophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 264.87378 Da
Monoisotopic Mass: 2.3
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]+	265.881056	133.8
[M+Na]+	287.862998	145.1
[M-H]-	263.866504	139.5
[M+NH4]+	282.907603	153.1
[M+K]+	303.836938	128.8
[M+H-H2O]+	247.871040	141.1
[M+HCOO]-	309.871981	150.0
[M+CH3COO]-	323.887631	198.4
[M+Na-2H]-	285.848446	140.4
[M]+	264.87323142	165.5
[M]-	264.87432858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe