CID 56127

90842-03-8

Structural Information

Molecular Formula
C10H8I4O3
SMILES
CCC(C(=O)O)OC1=CC(=C(C(=C1I)I)I)I
InChI
InChI=1S/C10H8I4O3/c1-2-5(10(15)16)17-6-3-4(11)7(12)9(14)8(6)13/h3,5H,2H2,1H3,(H,15,16)
InChIKey
UFRJWCZCMHDDLV-UHFFFAOYSA-N
Compound name
2-(2,3,4,5-tetraiodophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

683.6652 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 684.67248 175.6
[M+Na]+ 706.65442 161.6
[M-H]- 682.65792 167.6
[M+NH4]+ 701.69902 174.4
[M+K]+ 722.62836 176.0
[M+H-H2O]+ 666.66246 164.9
[M+HCOO]- 728.66340 175.4
[M+CH3COO]- 742.67905 238.6
[M+Na-2H]- 704.63987 157.5
[M]+ 683.66465 170.5
[M]- 683.66575 170.5
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.