CID 20154363

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

154.00462 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01190 125.0
[M+Na]+ 176.99384 137.8
[M-H]- 152.99734 123.4
[M+NH4]+ 172.03844 143.8
[M+K]+ 192.96778 133.0
[M+H-H2O]+ 137.00188 117.3
[M+HCOO]- 199.00282 141.3
[M+CH3COO]- 213.01847 138.7
[M+Na-2H]- 174.97929 134.9
[M]+ 154.00407 126.6
[M]- 154.00517 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

No literature data available for this compound.

Patent stripe

patents stripe