CID 3033550

73622-89-6

Structural Information

Molecular Formula
C16H8I6N2O4
SMILES
C1=C(C=C(C(=C1I)OC(=O)N/C=C/NC(=O)OC2=C(C=C(C=C2I)I)I)I)I
InChI
InChI=1S/C16H8I6N2O4/c17-7-3-9(19)13(10(20)4-7)27-15(25)23-1-2-24-16(26)28-14-11(21)5-8(18)6-12(14)22/h1-6H,(H,23,25)(H,24,26)/b2-1+
InChIKey
XRBGJRGVSYCKNH-OWOJBTEDSA-N
Compound name
(2,4,6-triiodophenyl) N-[(E)-2-[(2,4,6-triiodophenoxy)carbonylamino]ethenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1053.4752 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1054.4825 211.4
[M+Na]+ 1076.4644 204.2
[M+NH4]+ 1071.5090 207.6
[M+K]+ 1092.4384 205.6
[M-H]- 1052.4679 205.4
[M+Na-2H]- 1074.4499 205.4
[M]+ 1053.4747 207.8
[M]- 1053.4757 207.8
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.