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

7
Patents

168.02028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.027556 131.4
[M+Na]+ 191.009498 140.0
[M-H]- 167.013004 136.2
[M+NH4]+ 186.054103 151.4
[M+K]+ 206.983438 132.8
[M+H-H2O]+ 151.017540 129.5
[M+HCOO]- 213.018481 157.6
[M+CH3COO]- 227.034131 180.0
[M+Na-2H]- 188.994946 143.2
[M]+ 168.01973142 131.0
[M]- 168.02082858 131.0
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