CID 68722586

2-(5-bromo-2-hydroxypyridin-3-yl)acetonitrile

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1=C(C(=O)NC=C1Br)CC#N
InChI
InChI=1S/C7H5BrN2O/c8-6-3-5(1-2-9)7(11)10-4-6/h3-4H,1H2,(H,10,11)
InChIKey
TXQSIWVKNWZPTN-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.95853 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 130.1
[M+Na]+ 234.947748 144.5
[M-H]- 210.951254 132.7
[M+NH4]+ 229.992353 148.6
[M+K]+ 250.921688 132.7
[M+H-H2O]+ 194.955790 123.3
[M+HCOO]- 256.956731 149.3
[M+CH3COO]- 270.972381 192.6
[M+Na-2H]- 232.933196 138.1
[M]+ 211.95798142 141.3
[M]- 211.95907858 141.3
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

patents stripe