CID 121227857

3-bromo-2-methoxyisonicotinonitrile

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
COC1=NC=CC(=C1Br)C#N
InChI
InChI=1S/C7H5BrN2O/c1-11-7-6(8)5(4-9)2-3-10-7/h2-3H,1H3
InChIKey
GUCAFOYDLDXDDV-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxypyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95853 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96581 136.2
[M+Na]+ 234.94775 140.9
[M+NH4]+ 229.99235 138.4
[M+K]+ 250.92169 137.7
[M-H]- 210.95125 130.5
[M+Na-2H]- 232.93320 138.4
[M]+ 211.95798 133.6
[M]- 211.95908 133.6
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.