CID 46180570

2-chloro-3-(1h-tetrazol-5-yl)pyridine

Structural Information

Molecular Formula
C6H4ClN5
SMILES
C1=CC(=C(N=C1)Cl)C2=NNN=N2
InChI
InChI=1S/C6H4ClN5/c7-5-4(2-1-3-8-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChIKey
LXRGBTMGHYWGKA-UHFFFAOYSA-N
Compound name
2-chloro-3-(2H-tetrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.01552 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.022796 133.6
[M+Na]+ 204.004738 144.8
[M-H]- 180.008244 132.5
[M+NH4]+ 199.049343 148.4
[M+K]+ 219.978678 139.6
[M+H-H2O]+ 164.012780 123.9
[M+HCOO]- 226.013721 148.1
[M+CH3COO]- 240.029371 145.8
[M+Na-2H]- 201.990186 141.2
[M]+ 181.01497142 133.2
[M]- 181.01606858 133.2
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

No patent data available for this compound.