CID 57799141

2,3-dichloro-6-methoxybenzaldehyde

Structural Information

Molecular Formula

C₈H₆Cl₂O₂

SMILES

COC1=C(C(=C(C=C1)Cl)Cl)C=O

InChI

InChI=1S/C8H6Cl2O2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3

InChIKey

LKRDOTPHEHYNEP-UHFFFAOYSA-N

Compound name

2,3-dichloro-6-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 203.97449 Da
Monoisotopic Mass: 2.6
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	134.8
[M+Na]+	226.96371	150.5
[M+NH4]+	222.00831	144.1
[M+K]+	242.93765	142.7
[M-H]-	202.96721	137.0
[M+Na-2H]-	224.94916	142.4
[M]+	203.97394	138.3
[M]-	203.97504	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe