CID 14595216

129611-33-2

Structural Information

Molecular Formula

C₅H₂BrI₂NO

SMILES

C1=C(C(=C(N=C1I)Br)O)I

InChI

InChI=1S/C5H2BrI2NO/c6-5-4(10)2(7)1-3(8)9-5/h1,10H

InChIKey

NMUVKBWSRKKBFO-UHFFFAOYSA-N

Compound name

2-bromo-4,6-diiodopyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 424.7409 Da
Monoisotopic Mass: 2.9
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]+	425.74818	142.1
[M+Na]+	447.73012	140.8
[M-H]-	423.73362	135.2
[M+NH4]+	442.77472	152.3
[M+K]+	463.70406	142.8
[M+H-H2O]+	407.73816	135.9
[M+HCOO]-	469.73910	151.9
[M+CH3COO]-	483.75475	203.5
[M+Na-2H]-	445.71557	132.9
[M]+	424.74035	152.2
[M]-	424.74145	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.