CID 71777888

2-chloro-4-(1h-tetrazol-5-yl)pyridine

Structural Information

Molecular Formula
C6H4ClN5
SMILES
C1=CN=C(C=C1C2=NNN=N2)Cl
InChI
InChI=1S/C6H4ClN5/c7-5-3-4(1-2-8-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChIKey
KUXZJLQJVCDQRG-UHFFFAOYSA-N
Compound name
2-chloro-4-(2H-tetrazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

patents stripe