CID 74459

2,4,5-triiodoimidazole

Structural Information

Molecular Formula
C3HI3N2
SMILES
C1(=C(N=C(N1)I)I)I
InChI
InChI=1S/C3HI3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
InChIKey
HIDCNJIBRZBEPN-UHFFFAOYSA-N
Compound name
2,4,5-triiodo-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

205
Patents

445.7274 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.73468 127.7
[M+Na]+ 468.71662 117.5
[M-H]- 444.72012 116.4
[M+NH4]+ 463.76122 132.3
[M+K]+ 484.69056 131.2
[M+H-H2O]+ 428.72466 116.4
[M+HCOO]- 490.72560 133.4
[M+CH3COO]- 504.74125 211.6
[M+Na-2H]- 466.70207 115.5
[M]+ 445.72685 121.6
[M]- 445.72795 121.6
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