CID 56122

90794-36-8

Structural Information

Molecular Formula

C₁₀H₁₁IO₃

SMILES

CCC(C(=O)O)OC1=CC=C(C=C1)I

InChI

InChI=1S/C10H11IO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)

InChIKey

SKAOXAUIIBWRBB-UHFFFAOYSA-N

Compound name

2-(4-iodophenoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 305.97528 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	306.98256	154.5
[M+Na]+	328.96450	158.0
[M+NH4]+	324.00910	157.3
[M+K]+	344.93844	156.2
[M-H]-	304.96800	148.8
[M+Na-2H]-	326.94995	146.6
[M]+	305.97473	152.1
[M]-	305.97583	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe