CID 10242032

2,6-dichloro-4-hydroxymethylbenzaldehyde

Structural Information

Molecular Formula

C₈H₆Cl₂O₂

SMILES

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

InChI

InChI=1S/C8H6Cl2O2/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4,11H,3H2

InChIKey

PLSBLWXOKQLJFA-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(hydroxymethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 203.97449 Da
Monoisotopic Mass: 1.8
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]+	204.98177	135.4
[M+Na]+	226.96371	150.5
[M+NH4]+	222.00831	144.3
[M+K]+	242.93765	143.1
[M-H]-	202.96721	137.1
[M+Na-2H]-	224.94916	142.3
[M]+	203.97394	138.6
[M]-	203.97504	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe