CID 43144782

3-(3-iodophenoxy)propanoic acid

Structural Information

Molecular Formula
C9H9IO3
SMILES
C1=CC(=CC(=C1)I)OCCC(=O)O
InChI
InChI=1S/C9H9IO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChIKey
RWYHMFPPGLDKMC-UHFFFAOYSA-N
Compound name
3-(3-iodophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.95963 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.966906 150.1
[M+Na]+ 314.948848 150.4
[M-H]- 290.952354 145.4
[M+NH4]+ 309.993453 164.1
[M+K]+ 330.922788 154.5
[M+H-H2O]+ 274.956890 140.6
[M+HCOO]- 336.957831 167.4
[M+CH3COO]- 350.973481 187.4
[M+Na-2H]- 312.934296 142.8
[M]+ 291.95908142 148.7
[M]- 291.96017858 148.7
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

patents stripe