CID 22928717

2-(3-iodophenoxy)acetic acid

Structural Information

Molecular Formula
C8H7IO3
SMILES
C1=CC(=CC(=C1)I)OCC(=O)O
InChI
InChI=1S/C8H7IO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
FNKRPPVPTWVSFF-UHFFFAOYSA-N
Compound name
2-(3-iodophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

277.944 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.951276 145.1
[M+Na]+ 300.933218 145.9
[M-H]- 276.936724 140.6
[M+NH4]+ 295.977823 159.7
[M+K]+ 316.907158 150.2
[M+H-H2O]+ 260.941260 135.9
[M+HCOO]- 322.942201 162.8
[M+CH3COO]- 336.957851 184.5
[M+Na-2H]- 298.918666 138.4
[M]+ 277.94345142 143.5
[M]- 277.94454858 143.5
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