CID 74760

1948-40-9

Structural Information

Molecular Formula

C₇H₄I₂O₂

SMILES

C1=C(C=C(C(=C1I)O)I)C=O

InChI

InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H

InChIKey

WHLUEIMENHLCMY-UHFFFAOYSA-N

Compound name

4-hydroxy-3,5-diiodobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 462
Patents: 373.83008 Da
Monoisotopic Mass: 1.7
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]+	374.837356	143.8
[M+Na]+	396.819298	138.9
[M-H]-	372.822804	135.1
[M+NH4]+	391.863903	153.3
[M+K]+	412.793238	148.4
[M+H-H2O]+	356.827340	132.9
[M+HCOO]-	418.828281	155.7
[M+CH3COO]-	432.843931	199.2
[M+Na-2H]-	394.804746	131.5
[M]+	373.82953142	139.7
[M]-	373.83062858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe