CID 56149

90917-50-3

Structural Information

Molecular Formula
C10H10I2O3
SMILES
CCC(C(=O)O)OC1=C(C=C(C=C1)I)I
InChI
InChI=1S/C10H10I2O3/c1-2-8(10(13)14)15-9-4-3-6(11)5-7(9)12/h3-5,8H,2H2,1H3,(H,13,14)
InChIKey
OJBQXQKDTBWHEG-UHFFFAOYSA-N
Compound name
2-(2,4-diiodophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.87195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.87923 163.1
[M+Na]+ 454.86117 155.8
[M-H]- 430.86467 153.7
[M+NH4]+ 449.90577 170.2
[M+K]+ 470.83511 165.9
[M+H-H2O]+ 414.86921 151.3
[M+HCOO]- 476.87015 172.6
[M+CH3COO]- 490.88580 208.3
[M+Na-2H]- 452.84662 147.6
[M]+ 431.87140 159.5
[M]- 431.87250 159.5
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.