CID 154842917

5-iodo-2-(1h-1,2,4-triazol-1-yl)pyridine

Structural Information

Molecular Formula
C7H5IN4
SMILES
C1=CC(=NC=C1I)N2C=NC=N2
InChI
InChI=1S/C7H5IN4/c8-6-1-2-7(10-3-6)12-5-9-4-11-12/h1-5H
InChIKey
KGPJGRSMQFTQSQ-UHFFFAOYSA-N
Compound name
5-iodo-2-(1,2,4-triazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9559 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.963176 131.9
[M+Na]+ 294.945118 135.3
[M-H]- 270.948624 126.8
[M+NH4]+ 289.989723 144.1
[M+K]+ 310.919058 138.2
[M+H-H2O]+ 254.953160 119.4
[M+HCOO]- 316.954101 149.0
[M+CH3COO]- 330.969751 141.3
[M+Na-2H]- 292.930566 128.7
[M]+ 271.95535142 129.4
[M]- 271.95644858 129.4
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

No patent data available for this compound.