CID 17801833

5-(azidomethyl)-2-chloropyridine

Structural Information

Molecular Formula
C6H5ClN4
SMILES
C1=CC(=NC=C1CN=[N+]=[N-])Cl
InChI
InChI=1S/C6H5ClN4/c7-6-2-1-5(3-9-6)4-10-11-8/h1-3H,4H2
InChIKey
AAWLCFHBPQEWCG-UHFFFAOYSA-N
Compound name
5-(azidomethyl)-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

168.02028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02756 128.9
[M+Na]+ 191.00950 143.9
[M+NH4]+ 186.05410 138.6
[M+K]+ 206.98344 137.7
[M-H]- 167.01300 134.5
[M+Na-2H]- 188.99495 138.4
[M]+ 168.01973 132.8
[M]- 168.02083 132.8
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