CID 46318349

4,5-diiodo-1h-1,2,3-triazole

Structural Information

Molecular Formula
C2HI2N3
SMILES
C1(=NNN=C1I)I
InChI
InChI=1S/C2HI2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7)
InChIKey
BIEAMRHKHMPDPL-UHFFFAOYSA-N
Compound name
4,5-diiodo-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

320.826 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.83328 119.9
[M+Na]+ 343.81522 115.6
[M-H]- 319.81872 108.1
[M+NH4]+ 338.85982 129.3
[M+K]+ 359.78916 125.7
[M+H-H2O]+ 303.82326 108.1
[M+HCOO]- 365.82420 130.8
[M+CH3COO]- 379.83985 189.6
[M+Na-2H]- 341.80067 110.3
[M]+ 320.82545 114.4
[M]- 320.82655 114.4
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