CID 29012

4-iodobenzyl alcohol

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CO)I

InChI

InChI=1S/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey

CNQRHSZYVFYOIE-UHFFFAOYSA-N

Compound name

(4-iodophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 968
Patents: 233.95416 Da
Monoisotopic Mass: 1.9
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]+	234.961436	133.2
[M+Na]+	256.943378	134.5
[M-H]-	232.946884	128.8
[M+NH4]+	251.987983	149.8
[M+K]+	272.917318	138.3
[M+H-H2O]+	216.951420	124.6
[M+HCOO]-	278.952361	151.6
[M+CH3COO]-	292.968011	177.9
[M+Na-2H]-	254.928826	128.5
[M]+	233.95361142	129.8
[M]-	233.95470858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe