CID 141793

4-iodophenyl acetate

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H7IO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3

InChIKey

MXHYFISNECFQHA-UHFFFAOYSA-N

Compound name

(4-iodophenyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 328
Patents: 261.94907 Da
Monoisotopic Mass: 2.4
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	140.0
[M+Na]+	284.93829	145.3
[M+NH4]+	279.98289	144.2
[M+K]+	300.91223	142.5
[M-H]-	260.94179	135.6
[M+Na-2H]-	282.92374	134.2
[M]+	261.94852	138.4
[M]-	261.94962	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe