CID 46223600

1224464-93-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

181.01552 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02280 133.6
[M+Na]+ 204.00474 144.8
[M-H]- 180.00824 132.5
[M+NH4]+ 199.04934 148.4
[M+K]+ 219.97868 139.6
[M+H-H2O]+ 164.01278 123.9
[M+HCOO]- 226.01372 148.1
[M+CH3COO]- 240.02937 145.8
[M+Na-2H]- 201.99019 141.2
[M]+ 181.01497 133.2
[M]- 181.01607 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

No literature data available for this compound.

Patent stripe

patents stripe