CID 19365942

5-iodo-1,2,3-triazole

Structural Information

Molecular Formula
C2H2IN3
SMILES
C1=NNN=C1I
InChI
InChI=1S/C2H2IN3/c3-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKey
RWPISZUNOCYFHY-UHFFFAOYSA-N
Compound name
4-iodo-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

215
Patents

194.92934 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.93662 116.1
[M+Na]+ 217.91856 118.8
[M-H]- 193.92206 108.1
[M+NH4]+ 212.96316 131.9
[M+K]+ 233.89250 123.4
[M+H-H2O]+ 177.92660 105.9
[M+HCOO]- 239.92754 133.2
[M+CH3COO]- 253.94319 168.7
[M+Na-2H]- 215.90401 112.9
[M]+ 194.92879 111.7
[M]- 194.92989 111.7
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