CID 880269

3,5-dichloro-4-ethoxybenzaldehyde

Structural Information

Molecular Formula

C₉H₈Cl₂O₂

SMILES

CCOC1=C(C=C(C=C1Cl)C=O)Cl

InChI

InChI=1S/C9H8Cl2O2/c1-2-13-9-7(10)3-6(5-12)4-8(9)11/h3-5H,2H2,1H3

InChIKey

RREIHDZMWHOPJY-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-ethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.99013 Da
Monoisotopic Mass: 3.2
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]+	218.99741	139.3
[M+Na]+	240.97935	154.8
[M+NH4]+	236.02395	148.5
[M+K]+	256.95329	146.8
[M-H]-	216.98285	141.5
[M+Na-2H]-	238.96480	146.6
[M]+	217.98958	142.8
[M]-	217.99068	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe