CID 52068

2,4,6-trichloro-3-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₇H₃Cl₃O₂

SMILES

C1=C(C(=C(C(=C1Cl)O)Cl)C=O)Cl

InChI

InChI=1S/C7H3Cl3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H

InChIKey

WSVXMUOROYTNQL-UHFFFAOYSA-N

Compound name

2,4,6-trichloro-3-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.91986 Da
Monoisotopic Mass: 3.3
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]+	224.92714	137.8
[M+Na]+	246.90908	153.4
[M+NH4]+	241.95368	146.6
[M+K]+	262.88302	145.9
[M-H]-	222.91258	139.2
[M+Na-2H]-	244.89453	144.5
[M]+	223.91931	141.3
[M]-	223.92041	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe