CID 53598

(2,4-diiodophenoxy)acetic acid

Structural Information

Molecular Formula
C8H6I2O3
SMILES
C1=CC(=C(C=C1I)I)OCC(=O)O
InChI
InChI=1S/C8H6I2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
NCMZZPMWCNKRJG-UHFFFAOYSA-N
Compound name
2-(2,4-diiodophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

403.84064 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.84792 155.0
[M+Na]+ 426.82986 148.6
[M-H]- 402.83336 145.8
[M+NH4]+ 421.87446 163.1
[M+K]+ 442.80380 158.6
[M+H-H2O]+ 386.83790 143.4
[M+HCOO]- 448.83884 165.8
[M+CH3COO]- 462.85449 202.9
[M+Na-2H]- 424.81531 141.4
[M]+ 403.84009 151.3
[M]- 403.84119 151.3
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