CID 6435493

Brn 3143349

Structural Information

Molecular Formula
C10H7I3O3
SMILES
C1=C(C=C(C(=C1I)OC/C=C/C(=O)O)I)I
InChI
InChI=1S/C10H7I3O3/c11-6-4-7(12)10(8(13)5-6)16-3-1-2-9(14)15/h1-2,4-5H,3H2,(H,14,15)/b2-1+
InChIKey
NELVKAUNCZYYSO-OWOJBTEDSA-N
Compound name
(E)-4-(2,4,6-triiodophenoxy)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.7529 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.76018 173.3
[M+Na]+ 578.74212 163.0
[M+NH4]+ 573.78672 168.0
[M+K]+ 594.71606 167.6
[M-H]- 554.74562 159.5
[M+Na-2H]- 576.72757 154.4
[M]+ 555.75235 165.5
[M]- 555.75345 165.5
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.