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

1276
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

literature stripe

Patent stripe

patents stripe