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

158
Patents

195.96361 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97089 134.4
[M+Na]+ 218.95283 139.2
[M+NH4]+ 213.99743 137.0
[M+K]+ 234.92677 135.4
[M-H]- 194.95633 129.0
[M+Na-2H]- 216.93828 137.1
[M]+ 195.96306 131.9
[M]- 195.96416 131.9
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