CID 27281660

104508-24-9

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=CC(=NC(=C1)C#N)CBr
InChI
InChI=1S/C7H5BrN2/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4H2
InChIKey
SQLZGKYMIUGRCL-UHFFFAOYSA-N
Compound name
6-(bromomethyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

195.96361 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.970886 126.5
[M+Na]+ 218.952828 140.5
[M-H]- 194.956334 129.9
[M+NH4]+ 213.997433 146.1
[M+K]+ 234.926768 129.4
[M+H-H2O]+ 178.960870 119.6
[M+HCOO]- 240.961811 146.7
[M+CH3COO]- 254.977461 193.0
[M+Na-2H]- 216.938276 135.8
[M]+ 195.96306142 138.5
[M]- 195.96415858 138.5
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