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]+ 212.96581 130.1
[M+Na]+ 234.94775 144.5
[M-H]- 210.95125 132.7
[M+NH4]+ 229.99235 148.6
[M+K]+ 250.92169 132.7
[M+H-H2O]+ 194.95579 123.3
[M+HCOO]- 256.95673 149.3
[M+CH3COO]- 270.97238 192.6
[M+Na-2H]- 232.93320 138.1
[M]+ 211.95798 141.3
[M]- 211.95908 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