CID 7204870

5-bromo-2-hydroxypyridine-3-carbonitrile

Structural Information

Molecular Formula
C6H3BrN2O
SMILES
C1=C(C(=O)NC=C1Br)C#N
InChI
InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10)
InChIKey
SWTLLSLCDHXNIU-UHFFFAOYSA-N
Compound name
5-bromo-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
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 126.1
[M+Na]+ 220.93211 140.9
[M-H]- 196.93561 128.8
[M+NH4]+ 215.97671 145.1
[M+K]+ 236.90605 129.3
[M+H-H2O]+ 180.94015 119.5
[M+HCOO]- 242.94109 145.6
[M+CH3COO]- 256.95674 190.1
[M+Na-2H]- 218.91756 134.6
[M]+ 197.94234 137.0
[M]- 197.94344 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe