CID 154842917

2273382-74-2

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]+ 272.96318 131.9
[M+Na]+ 294.94512 135.3
[M-H]- 270.94862 126.8
[M+NH4]+ 289.98972 144.1
[M+K]+ 310.91906 138.2
[M+H-H2O]+ 254.95316 119.4
[M+HCOO]- 316.95410 149.0
[M+CH3COO]- 330.96975 141.3
[M+Na-2H]- 292.93057 128.7
[M]+ 271.95535 129.4
[M]- 271.95645 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.