CID 73425021

2-iodo-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C6H4IN3
SMILES
C1=CC2=NC(=NN2C=C1)I
InChI
InChI=1S/C6H4IN3/c7-6-8-5-3-1-2-4-10(5)9-6/h1-4H
InChIKey
KRHPHZSDBGDRIU-UHFFFAOYSA-N
Compound name
2-iodo-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

244.94499 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.952266 122.8
[M+Na]+ 267.934208 127.7
[M-H]- 243.937714 117.2
[M+NH4]+ 262.978813 138.8
[M+K]+ 283.908148 130.9
[M+H-H2O]+ 227.942250 112.1
[M+HCOO]- 289.943191 141.5
[M+CH3COO]- 303.958841 133.6
[M+Na-2H]- 265.919656 121.7
[M]+ 244.94444142 122.2
[M]- 244.94553858 122.2
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