CID 65552

Tetrac

Structural Information

Molecular Formula
C14H8I4O4
SMILES
C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(=O)O
InChI
InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
InChIKey
PPJYSSNKSXAVDB-UHFFFAOYSA-N
Compound name
2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

160
References

1356
Patents

747.6601 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.66738 206.9
[M+Na]+ 770.64932 192.6
[M-H]- 746.65282 198.9
[M+NH4]+ 765.69392 203.7
[M+K]+ 786.62326 206.0
[M+H-H2O]+ 730.65736 194.6
[M+HCOO]- 792.65830 205.3
[M+CH3COO]- 806.67395 242.1
[M+Na-2H]- 768.63477 186.4
[M]+ 747.65955 200.7
[M]- 747.66065 200.7
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.