CID 43191

60075-62-9

Structural Information

Molecular Formula
C9H8I3NO2
SMILES
CC(=O)NC1=C(C=C(C(=C1I)CO)I)I
InChI
InChI=1S/C9H8I3NO2/c1-4(15)13-9-7(11)2-6(10)5(3-14)8(9)12/h2,14H,3H2,1H3,(H,13,15)
InChIKey
XVGCEJOSZYXVPN-UHFFFAOYSA-N
Compound name
N-[3-(hydroxymethyl)-2,4,6-triiodophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.7689 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.77618 174.3
[M+Na]+ 565.75812 163.8
[M+NH4]+ 560.80272 169.1
[M+K]+ 581.73206 168.5
[M-H]- 541.76162 160.9
[M+Na-2H]- 563.74357 155.3
[M]+ 542.76835 166.6
[M]- 542.76945 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.