CID 118643946

1859081-53-0

Structural Information

Molecular Formula

C₆H₂Br₂N₂O

SMILES

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

InChI

InChI=1S/C6H2Br2N2O/c7-3-1-5(8)10-4(2-9)6(3)11/h1,11H

InChIKey

UREMOXFNMQZKHW-UHFFFAOYSA-N

Compound name

4,6-dibromo-3-hydroxypyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 275.8534 Da
Monoisotopic Mass: 2.8
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]+	276.86068	120.6
[M+Na]+	298.84262	134.4
[M-H]-	274.84612	123.3
[M+NH4]+	293.88722	137.3
[M+K]+	314.81656	118.9
[M+H-H2O]+	258.85066	122.2
[M+HCOO]-	320.85160	137.3
[M+CH3COO]-	334.86725	207.5
[M+Na-2H]-	296.82807	128.9
[M]+	275.85285	147.1
[M]-	275.85395	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe