CID 3870220

3-iodophenylacetic acid

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)I)CC(=O)O

InChI

InChI=1S/C8H7IO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

MRSWWBAFGGGWRH-UHFFFAOYSA-N

Compound name

2-(3-iodophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 335
Patents: 261.94907 Da
Monoisotopic Mass: 2.6
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]+	262.95635	140.9
[M+Na]+	284.93829	145.6
[M+NH4]+	279.98289	144.7
[M+K]+	300.91223	143.1
[M-H]-	260.94179	136.0
[M+Na-2H]-	282.92374	134.5
[M]+	261.94852	139.0
[M]-	261.94962	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe