CID 23273629

2-(2-iodophenoxy)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

277.944 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95128 145.1
[M+Na]+ 300.93322 145.9
[M-H]- 276.93672 140.6
[M+NH4]+ 295.97782 159.7
[M+K]+ 316.90716 150.2
[M+H-H2O]+ 260.94126 135.9
[M+HCOO]- 322.94220 162.8
[M+CH3COO]- 336.95785 184.5
[M+Na-2H]- 298.91867 138.4
[M]+ 277.94345 143.5
[M]- 277.94455 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.