CID 55253488

6-chloro-1h-[1,2,3]triazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C5H3ClN4
SMILES
C1=C(C=NC2=NNN=C21)Cl
InChI
InChI=1S/C5H3ClN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10)
InChIKey
NXXWBQZFDQGBPK-UHFFFAOYSA-N
Compound name
6-chloro-2H-triazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

154.00462 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.011896 125.0
[M+Na]+ 176.993838 137.8
[M-H]- 152.997344 123.4
[M+NH4]+ 172.038443 143.8
[M+K]+ 192.967778 133.0
[M+H-H2O]+ 137.001880 117.3
[M+HCOO]- 199.002821 141.3
[M+CH3COO]- 213.018471 138.7
[M+Na-2H]- 174.979286 134.9
[M]+ 154.00407142 126.6
[M]- 154.00516858 126.6
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