CID 56153

Butyric acid, 4-(2,4-diiodophenoxy)-

Structural Information

Molecular Formula
C10H10I2O3
SMILES
C1=CC(=C(C=C1I)I)OCCCC(=O)O
InChI
InChI=1S/C10H10I2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKey
ZSRJQQVIBWZFFE-UHFFFAOYSA-N
Compound name
4-(2,4-diiodophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.87195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.87923 164.4
[M+Na]+ 454.86117 157.3
[M-H]- 430.86467 154.8
[M+NH4]+ 449.90577 171.5
[M+K]+ 470.83511 166.9
[M+H-H2O]+ 414.86921 152.4
[M+HCOO]- 476.87015 174.6
[M+CH3COO]- 490.88580 207.6
[M+Na-2H]- 452.84662 149.7
[M]+ 431.87140 161.2
[M]- 431.87250 161.2
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.