CID 51846

73622-59-0

Structural Information

Molecular Formula
C14H8I4O4
SMILES
C1=C(C=C(C=C1I)I)C(C(=O)O)OC2=CC(=C(C(=C2)I)O)I
InChI
InChI=1S/C14H8I4O4/c15-7-1-6(2-8(16)3-7)13(14(20)21)22-9-4-10(17)12(19)11(18)5-9/h1-5,13,19H,(H,20,21)
InChIKey
YMJHGSZJVJIAGC-UHFFFAOYSA-N
Compound name
2-(3,5-diiodophenyl)-2-(4-hydroxy-3,5-diiodophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

747.6601 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.66738 208.3
[M+Na]+ 770.64932 193.6
[M-H]- 746.65282 200.2
[M+NH4]+ 765.69392 205.0
[M+K]+ 786.62326 207.2
[M+H-H2O]+ 730.65736 196.0
[M+HCOO]- 792.65830 206.4
[M+CH3COO]- 806.67395 241.9
[M+Na-2H]- 768.63477 187.6
[M]+ 747.65955 201.7
[M]- 747.66065 201.7
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.