CID 12488

1,2,4,5-tetraiodobenzene

Structural Information

Molecular Formula
C6H2I4
SMILES
C1=C(C(=CC(=C1I)I)I)I
InChI
InChI=1S/C6H2I4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKey
QHODZFPKHGDLOS-UHFFFAOYSA-N
Compound name
1,2,4,5-tetraiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

112
Patents

581.6335 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.64078 158.7
[M+Na]+ 604.62272 145.4
[M-H]- 580.62622 150.9
[M+NH4]+ 599.66732 159.3
[M+K]+ 620.59666 159.8
[M+H-H2O]+ 564.63076 148.4
[M+HCOO]- 626.63170 160.1
[M+CH3COO]- 640.64735 232.0
[M+Na-2H]- 602.60817 143.2
[M]+ 581.63295 152.8
[M]- 581.63405 152.8
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