CID 222556

2,4,6-triiodoaniline

Structural Information

Molecular Formula
C6H4I3N
SMILES
C1=C(C=C(C(=C1I)N)I)I
InChI
InChI=1S/C6H4I3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
GNOYQZRQXNVAKE-UHFFFAOYSA-N
Compound name
2,4,6-triiodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

470.7478 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.75508 149.5
[M+Na]+ 493.73702 138.3
[M-H]- 469.74052 140.0
[M+NH4]+ 488.78162 153.9
[M+K]+ 509.71096 151.9
[M+H-H2O]+ 453.74506 137.9
[M+HCOO]- 515.74600 156.0
[M+CH3COO]- 529.76165 218.3
[M+Na-2H]- 491.72247 135.4
[M]+ 470.74725 142.7
[M]- 470.74835 142.7
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