CID 56121

2-(2-iodophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H11IO3
SMILES
CCC(C(=O)O)OC1=CC=CC=C1I
InChI
InChI=1S/C10H11IO3/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3,(H,12,13)
InChIKey
KIDZSAAAYZHRNO-UHFFFAOYSA-N
Compound name
2-(2-iodophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.97528 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98256 154.6
[M+Na]+ 328.96450 154.3
[M-H]- 304.96800 149.8
[M+NH4]+ 324.00910 168.1
[M+K]+ 344.93844 158.7
[M+H-H2O]+ 288.97254 145.0
[M+HCOO]- 350.97348 170.7
[M+CH3COO]- 364.98913 191.0
[M+Na-2H]- 326.94995 145.7
[M]+ 305.97473 153.0
[M]- 305.97583 153.0
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.