CID 56220

Butyric acid, 2-(3,5-diiodo-2-methoxyphenoxy)-

Structural Information

Molecular Formula
C11H12I2O4
SMILES
CCC(C(=O)O)OC1=C(C(=CC(=C1)I)I)OC
InChI
InChI=1S/C11H12I2O4/c1-3-8(11(14)15)17-9-5-6(12)4-7(13)10(9)16-2/h4-5,8H,3H2,1-2H3,(H,14,15)
InChIKey
NVJWXVOAZDHHHN-UHFFFAOYSA-N
Compound name
2-(3,5-diiodo-2-methoxyphenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.8825 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.88978 170.1
[M+Na]+ 484.87172 163.1
[M-H]- 460.87522 160.9
[M+NH4]+ 479.91632 176.4
[M+K]+ 500.84566 173.5
[M+H-H2O]+ 444.87976 158.1
[M+HCOO]- 506.88070 179.5
[M+CH3COO]- 520.89635 213.3
[M+Na-2H]- 482.85717 153.6
[M]+ 461.88195 168.2
[M]- 461.88305 168.2
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.