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]+ 292.96691 150.1
[M+Na]+ 314.94885 150.4
[M-H]- 290.95235 145.4
[M+NH4]+ 309.99345 164.1
[M+K]+ 330.92279 154.5
[M+H-H2O]+ 274.95689 140.6
[M+HCOO]- 336.95783 167.4
[M+CH3COO]- 350.97348 187.4
[M+Na-2H]- 312.93430 142.8
[M]+ 291.95908 148.7
[M]- 291.96018 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