CID 118822622

4-bromo-6-hydroxypicolinonitrile

Structural Information

Molecular Formula
C6H3BrN2O
SMILES
C1=C(C=C(NC1=O)C#N)Br
InChI
InChI=1S/C6H3BrN2O/c7-4-1-5(3-8)9-6(10)2-4/h1-2H,(H,9,10)
InChIKey
XVYZPRILZJCXFV-UHFFFAOYSA-N
Compound name
4-bromo-6-oxo-1H-pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.94289 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.95017 133.0
[M+Na]+ 220.93211 137.4
[M+NH4]+ 215.97671 134.8
[M+K]+ 236.90605 134.5
[M-H]- 196.93561 126.7
[M+Na-2H]- 218.91756 134.8
[M]+ 197.94234 130.0
[M]- 197.94344 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.