CID 819961

428501-78-4

Structural Information

Molecular Formula

C₁₂H₁₅ClO₃

SMILES

CCOC1=C(C(=CC(=C1)C=O)Cl)OC(C)C

InChI

InChI=1S/C12H15ClO3/c1-4-15-11-6-9(7-14)5-10(13)12(11)16-8(2)3/h5-8H,4H2,1-3H3

InChIKey

VSFQXMHWZURYIP-UHFFFAOYSA-N

Compound name

3-chloro-5-ethoxy-4-propan-2-yloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 242.07097 Da
Monoisotopic Mass: 3.1
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]+	243.07825	149.4
[M+Na]+	265.06019	159.1
[M-H]-	241.06369	153.6
[M+NH4]+	260.10479	168.6
[M+K]+	281.03413	156.1
[M+H-H2O]+	225.06823	144.6
[M+HCOO]-	287.06917	168.5
[M+CH3COO]-	301.08482	193.7
[M+Na-2H]-	263.04564	152.5
[M]+	242.07042	156.7
[M]-	242.07152	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.